 Entering Gaussian System, Link 0=g16
 Input=18_methylcyclopentanone_Boat_STD_wB97XD-augccpVDZr.in
 Output=18_methylcyclopentanone_Boat_STD_wB97XD-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/18_methylcyclopentanone_Boat_STD/Gau-37444.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/18_methylcyclopentanone_Boat_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     37445.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=18_methylcyclopentanone_Boat_STD_wB97XD-augccpVDZr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 21:57:16 2021, MaxMem= 10737418240 cpu:               2.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "18_methylcyclopentanone_Boat_STD_wB97XD-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.633721000000      1.221277000000     -0.338752000000
  C                                                 1.202323000000     -0.162379000000     -0.033480000000
  C                                                 0.137211000000     -0.968205000000      0.702463000000
  C                                                -1.174040000000     -0.198817000000      0.488459000000
  C                                                -0.703929000000      1.273985000000      0.406927000000
  O                                                 2.304239000000     -0.549644000000     -0.325314000000
  H                                                 0.503664000000      1.289578000000     -1.422345000000
  H                                                 1.346883000000      1.995992000000     -0.058182000000
  H                                                 0.420796000000     -0.975077000000      1.760549000000
  H                                                 0.126808000000     -2.003965000000      0.363566000000
  H                                                -1.851041000000     -0.333959000000      1.333578000000
  C                                                -1.889774000000     -0.644315000000     -0.786475000000
  H                                                -0.549986000000      1.664030000000      1.415809000000
  H                                                -1.441119000000      1.913307000000     -0.079228000000
  H                                                -1.248924000000     -0.537622000000     -1.665524000000
  H                                                -2.789893000000     -0.050884000000     -0.957715000000
  H                                                -2.184175000000     -1.693520000000     -0.722841000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     17 NQM=       17 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          16           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17
 IAtWgt=           1          12           1           1           1           1           1
 AtmWgt=   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           0           1           1           1           1           1
 AtZEff=   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Thu Jul  8 21:57:16 2021, MaxMem= 10737418240 cpu:               2.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.633721    1.221277   -0.338752
      2          6           0        1.202323   -0.162379   -0.033480
      3          6           0        0.137211   -0.968205    0.702463
      4          6           0       -1.174040   -0.198817    0.488459
      5          6           0       -0.703929    1.273985    0.406927
      6          8           0        2.304239   -0.549644   -0.325314
      7          1           0        0.503664    1.289578   -1.422345
      8          1           0        1.346883    1.995992   -0.058182
      9          1           0        0.420796   -0.975077    1.760549
     10          1           0        0.126808   -2.003965    0.363566
     11          1           0       -1.851041   -0.333959    1.333578
     12          6           0       -1.889774   -0.644315   -0.786475
     13          1           0       -0.549986    1.664030    1.415809
     14          1           0       -1.441119    1.913307   -0.079228
     15          1           0       -1.248924   -0.537622   -1.665524
     16          1           0       -2.789893   -0.050884   -0.957715
     17          1           0       -2.184175   -1.693520   -0.722841
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.526762   0.000000
     3  C    2.474769   1.524936   0.000000
     4  C    2.443142   2.433280   1.535296   0.000000
     5  C    1.532359   2.427117   2.412939   1.548159   0.000000
     6  O    2.434537   1.203894   2.434652   3.589391   3.593171
     7  H    1.093505   2.127263   3.121967   2.946385   2.191976
     8  H    1.089726   2.163348   3.290646   3.386895   2.223387
     9  H    3.045714   2.118915   1.095451   2.182726   2.855797
    10  H    3.339521   2.169290   1.089843   2.228534   3.381858
    11  H    3.374832   3.349824   2.180303   1.091247   2.181750
    12  C    3.170003   3.218746   2.535845   1.528463   2.551531
    13  H    2.162331   2.916641   2.812430   2.172469   1.092555
    14  H    2.202548   3.361302   3.377170   2.203331   1.090196
    15  H    2.898000   2.968668   2.777433   2.181751   2.806064
    16  H    3.704408   4.099321   3.487923   2.173542   2.822901
    17  H    4.072359   3.779944   2.818937   2.172961   3.503368
                    6          7          8          9         10
     6  O    0.000000
     7  H    2.797907   0.000000
     8  H    2.732792   1.752421   0.000000
     9  H    2.842389   3.907217   3.604535   0.000000
    10  H    2.707547   3.765491   4.203107   1.759716   0.000000
    11  H    4.479374   3.971853   4.194328   2.398871   2.764368
    12  C    4.220353   3.142104   4.239998   3.454775   2.690324
    13  H    4.009796   3.050494   2.425069   2.833046   3.875494
    14  H    4.489364   2.444419   2.789307   3.897983   4.242580
    15  H    3.797535   2.543494   3.967488   3.836314   2.856573
    16  H    5.157410   3.586117   4.702316   4.307159   3.750660
    17  H    4.648907   4.075863   5.150014   3.670049   2.572411
                   11         12         13         14         15
    11  H    0.000000
    12  C    2.142999   0.000000
    13  H    2.385679   3.460281   0.000000
    14  H    2.685938   2.691267   1.758236   0.000000
    15  H    3.065720   1.093069   3.851026   2.925804   0.000000
    16  H    2.492308   1.091649   3.686696   2.539484   1.764226
    17  H    2.487618   1.091583   4.303201   3.738391   1.760524
                   16         17
    16  H    0.000000
    17  H    1.766441   0.000000
 Stoichiometry    C6H10O
 Framework group  C1[X(C6H10O)]
 Deg. of freedom    45
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.53D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.633721    1.221277   -0.338752
      2          6           0        1.202323   -0.162379   -0.033480
      3          6           0        0.137211   -0.968205    0.702463
      4          6           0       -1.174040   -0.198817    0.488459
      5          6           0       -0.703929    1.273985    0.406927
      6          8           0        2.304239   -0.549644   -0.325314
      7          1           0        0.503664    1.289578   -1.422345
      8          1           0        1.346883    1.995992   -0.058182
      9          1           0        0.420796   -0.975077    1.760549
     10          1           0        0.126808   -2.003965    0.363566
     11          1           0       -1.851041   -0.333959    1.333578
     12          6           0       -1.889774   -0.644315   -0.786475
     13          1           0       -0.549986    1.664030    1.415809
     14          1           0       -1.441119    1.913307   -0.079228
     15          1           0       -1.248924   -0.537622   -1.665524
     16          1           0       -2.789893   -0.050884   -0.957715
     17          1           0       -2.184175   -1.693520   -0.722841
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.4282585           2.2049386           1.8432612
 Leave Link  202 at Thu Jul  8 21:57:16 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       7      8      9     10     11     13     14     15     16     17
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5     12
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  21 primitive shells out of 276 were deleted.
 There are   265 symmetry adapted cartesian basis functions of A   symmetry.
 There are   251 symmetry adapted basis functions of A   symmetry.
   251 basis functions,   449 primitive gaussians,   265 cartesian basis functions
    27 alpha electrons       27 beta electrons
       nuclear repulsion energy       309.8033475478 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   17 NActive=   17 NUniq=   17 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0102903602 Hartrees.
 Nuclear repulsion after empirical dispersion term =      309.7930571877 Hartrees.
 Leave Link  301 at Thu Jul  8 21:57:19 2021, MaxMem= 10737418240 cpu:              36.6 elap:               2.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   251 RedAO= T EigKep=  1.29D-05  NBF=   251
 NBsUse=   251 1.00D-06 EigRej= -1.00D+00 NBFU=   251
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   265   265   265   265   265 MxSgAt=    17 MxSgA2=    17.
 Leave Link  302 at Thu Jul  8 21:57:20 2021, MaxMem= 10737418240 cpu:               6.2 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 21:57:20 2021, MaxMem= 10737418240 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "18_methylcyclopentanone_Boat_STD_wB97XD-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 21:57:21 2021, MaxMem= 10737418240 cpu:               4.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737270897 LenY= 10737200231
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -309.827678631519    
 DIIS: error= 1.84D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -309.827678631519     IErMin= 1 ErrMin= 1.84D-03
 ErrMax= 1.84D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.58D-03 BMatP= 3.58D-03
 IDIUse=3 WtCom= 9.82D-01 WtEn= 1.84D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.376 Goal=   None    Shift=    0.000
 GapD=    0.376 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=9.82D-03 MaxDP=1.00D+00              OVMax= 1.45D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  9.41D-03    CP:  1.11D+00
 E= -309.830845144464     Delta-E=       -0.003166512945 Rises=F Damp=F
 DIIS: error= 3.30D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -309.830845144464     IErMin= 2 ErrMin= 3.30D-04
 ErrMax= 3.30D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.59D-05 BMatP= 3.58D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.30D-03
 Coeff-Com: -0.394D-01 0.104D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.393D-01 0.104D+01
 Gap=     0.360 Goal=   None    Shift=    0.000
 RMSDP=1.49D-03 MaxDP=1.33D-01 DE=-3.17D-03 OVMax= 5.62D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.33D-04    CP:  1.12D+00  1.13D+00
 E= -309.830890698438     Delta-E=       -0.000045553975 Rises=F Damp=F
 DIIS: error= 4.75D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -309.830890698438     IErMin= 2 ErrMin= 3.30D-04
 ErrMax= 4.75D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-04 BMatP= 8.59D-05
 IDIUse=3 WtCom= 3.15D-01 WtEn= 6.85D-01
 Coeff-Com: -0.465D-01 0.583D+00 0.464D+00
 Coeff-En:   0.000D+00 0.298D+00 0.702D+00
 Coeff:     -0.146D-01 0.388D+00 0.627D+00
 Gap=     0.357 Goal=   None    Shift=    0.000
 RMSDP=1.68D-04 MaxDP=8.36D-03 DE=-4.56D-05 OVMax= 3.03D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.06D-04    CP:  1.12D+00  1.14D+00  1.12D+00
 E= -309.830948994952     Delta-E=       -0.000058296514 Rises=F Damp=F
 DIIS: error= 2.90D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -309.830948994952     IErMin= 4 ErrMin= 2.90D-04
 ErrMax= 2.90D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.76D-05 BMatP= 8.59D-05
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.90D-03
 Coeff-Com: -0.338D-02-0.448D-01 0.365D+00 0.684D+00
 Coeff-En:   0.000D+00 0.000D+00 0.257D+00 0.743D+00
 Coeff:     -0.337D-02-0.447D-01 0.364D+00 0.684D+00
 Gap=     0.357 Goal=   None    Shift=    0.000
 RMSDP=1.39D-04 MaxDP=8.89D-03 DE=-5.83D-05 OVMax= 1.14D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.42D-05    CP:  1.12D+00  1.15D+00  1.28D+00  1.03D+00
 E= -309.830976755058     Delta-E=       -0.000027760106 Rises=F Damp=F
 DIIS: error= 1.87D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -309.830976755058     IErMin= 5 ErrMin= 1.87D-05
 ErrMax= 1.87D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.48D-07 BMatP= 3.76D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.247D-02-0.624D-01 0.884D-01 0.232D+00 0.740D+00
 Coeff:      0.247D-02-0.624D-01 0.884D-01 0.232D+00 0.740D+00
 Gap=     0.357 Goal=   None    Shift=    0.000
 RMSDP=3.70D-05 MaxDP=2.46D-03 DE=-2.78D-05 OVMax= 2.35D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.01D-05    CP:  1.12D+00  1.15D+00  1.32D+00  1.12D+00  1.21D+00
 E= -309.830977048669     Delta-E=       -0.000000293611 Rises=F Damp=F
 DIIS: error= 4.26D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -309.830977048669     IErMin= 6 ErrMin= 4.26D-06
 ErrMax= 4.26D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.08D-08 BMatP= 2.48D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.736D-03-0.918D-02-0.252D-02 0.558D-02 0.165D+00 0.840D+00
 Coeff:      0.736D-03-0.918D-02-0.252D-02 0.558D-02 0.165D+00 0.840D+00
 Gap=     0.357 Goal=   None    Shift=    0.000
 RMSDP=8.20D-06 MaxDP=5.17D-04 DE=-2.94D-07 OVMax= 6.33D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.93D-06    CP:  1.12D+00  1.15D+00  1.33D+00  1.15D+00  1.29D+00
                    CP:  1.13D+00
 E= -309.830977065887     Delta-E=       -0.000000017218 Rises=F Damp=F
 DIIS: error= 1.04D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -309.830977065887     IErMin= 7 ErrMin= 1.04D-06
 ErrMax= 1.04D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.69D-10 BMatP= 1.08D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.547D-04 0.279D-02-0.681D-02-0.171D-01-0.339D-01 0.125D+00
 Coeff-Com:  0.930D+00
 Coeff:     -0.547D-04 0.279D-02-0.681D-02-0.171D-01-0.339D-01 0.125D+00
 Coeff:      0.930D+00
 Gap=     0.357 Goal=   None    Shift=    0.000
 RMSDP=2.63D-06 MaxDP=1.58D-04 DE=-1.72D-08 OVMax= 2.83D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  5.51D-07    CP:  1.12D+00  1.15D+00  1.33D+00  1.15D+00  1.32D+00
                    CP:  1.21D+00  1.23D+00
 E= -309.830977067567     Delta-E=       -0.000000001680 Rises=F Damp=F
 DIIS: error= 4.04D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -309.830977067567     IErMin= 8 ErrMin= 4.04D-07
 ErrMax= 4.04D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.23D-10 BMatP= 8.69D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.719D-04 0.169D-02-0.207D-02-0.637D-02-0.250D-01-0.255D-01
 Coeff-Com:  0.314D+00 0.743D+00
 Coeff:     -0.719D-04 0.169D-02-0.207D-02-0.637D-02-0.250D-01-0.255D-01
 Coeff:      0.314D+00 0.743D+00
 Gap=     0.357 Goal=   None    Shift=    0.000
 RMSDP=3.39D-07 MaxDP=1.59D-05 DE=-1.68D-09 OVMax= 6.17D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.60D-07    CP:  1.12D+00  1.15D+00  1.33D+00  1.15D+00  1.32D+00
                    CP:  1.21D+00  1.32D+00  1.14D+00
 E= -309.830977067710     Delta-E=       -0.000000000143 Rises=F Damp=F
 DIIS: error= 9.50D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -309.830977067710     IErMin= 9 ErrMin= 9.50D-08
 ErrMax= 9.50D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.53D-12 BMatP= 1.23D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.105D-04 0.888D-04 0.255D-03 0.325D-03-0.176D-02-0.168D-01
 Coeff-Com: -0.199D-01 0.135D+00 0.903D+00
 Coeff:     -0.105D-04 0.888D-04 0.255D-03 0.325D-03-0.176D-02-0.168D-01
 Coeff:     -0.199D-01 0.135D+00 0.903D+00
 Gap=     0.357 Goal=   None    Shift=    0.000
 RMSDP=1.07D-07 MaxDP=5.25D-06 DE=-1.43D-10 OVMax= 2.01D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  5.37D-08    CP:  1.12D+00  1.15D+00  1.33D+00  1.15D+00  1.32D+00
                    CP:  1.21D+00  1.34D+00  1.21D+00  1.01D+00
 E= -309.830977067726     Delta-E=       -0.000000000016 Rises=F Damp=F
 DIIS: error= 2.01D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -309.830977067726     IErMin=10 ErrMin= 2.01D-08
 ErrMax= 2.01D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.71D-13 BMatP= 5.53D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.378D-05-0.115D-03 0.203D-03 0.553D-03 0.155D-02-0.116D-02
 Coeff-Com: -0.267D-01-0.311D-01 0.164D+00 0.893D+00
 Coeff:      0.378D-05-0.115D-03 0.203D-03 0.553D-03 0.155D-02-0.116D-02
 Coeff:     -0.267D-01-0.311D-01 0.164D+00 0.893D+00
 Gap=     0.357 Goal=   None    Shift=    0.000
 RMSDP=4.49D-08 MaxDP=3.54D-06 DE=-1.56D-11 OVMax= 5.48D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.41D-08    CP:  1.12D+00  1.15D+00  1.33D+00  1.15D+00  1.32D+00
                    CP:  1.21D+00  1.34D+00  1.23D+00  1.06D+00  1.13D+00
 E= -309.830977067720     Delta-E=        0.000000000006 Rises=F Damp=F
 DIIS: error= 5.17D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -309.830977067726     IErMin=11 ErrMin= 5.17D-09
 ErrMax= 5.17D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.66D-14 BMatP= 3.71D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.141D-05-0.303D-04 0.317D-04 0.111D-03 0.425D-03 0.646D-03
 Coeff-Com: -0.454D-02-0.137D-01-0.172D-01 0.189D+00 0.845D+00
 Coeff:      0.141D-05-0.303D-04 0.317D-04 0.111D-03 0.425D-03 0.646D-03
 Coeff:     -0.454D-02-0.137D-01-0.172D-01 0.189D+00 0.845D+00
 Gap=     0.357 Goal=   None    Shift=    0.000
 RMSDP=8.35D-09 MaxDP=4.84D-07 DE= 6.03D-12 OVMax= 1.32D-07

 SCF Done:  E(RwB97XD) =  -309.830977068     A.U. after   11 cycles
            NFock= 11  Conv=0.84D-08     -V/T= 2.0064
 KE= 3.078586265459D+02 PE=-1.340008666833D+03 EE= 4.125260060315D+02
 Leave Link  502 at Thu Jul  8 21:58:32 2021, MaxMem= 10737418240 cpu:            1120.4 elap:              70.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   251
 NBasis=   251 NAE=    27 NBE=    27 NFC=     0 NFV=     0
 NROrb=    251 NOA=    27 NOB=    27 NVA=   224 NVB=   224

 **** Warning!!: The largest alpha MO coefficient is  0.58910405D+02

 Leave Link  801 at Thu Jul  8 21:58:32 2021, MaxMem= 10737418240 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5263 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          17
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.01D-13 8.33D-09 XBig12= 1.00D+00 2.19D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.01D-13 8.33D-09 XBig12= 1.55D-01 8.21D-02.
     11 vectors produced by pass  2 Test12= 1.01D-13 8.33D-09 XBig12= 2.13D-02 2.53D-02.
     11 vectors produced by pass  3 Test12= 1.01D-13 8.33D-09 XBig12= 1.38D-03 6.81D-03.
     11 vectors produced by pass  4 Test12= 1.01D-13 8.33D-09 XBig12= 5.27D-05 1.30D-03.
     11 vectors produced by pass  5 Test12= 1.01D-13 8.33D-09 XBig12= 1.09D-06 1.98D-04.
     11 vectors produced by pass  6 Test12= 1.01D-13 8.33D-09 XBig12= 2.86D-08 3.61D-05.
     11 vectors produced by pass  7 Test12= 1.01D-13 8.33D-09 XBig12= 5.75D-10 5.64D-06.
     11 vectors produced by pass  8 Test12= 1.01D-13 8.33D-09 XBig12= 1.15D-11 6.82D-07.
      8 vectors produced by pass  9 Test12= 1.01D-13 8.33D-09 XBig12= 1.70D-13 7.32D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.20D-14
 Solved reduced A of dimension   107 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.816393D+02
      2 -0.102934D+01  0.746440D+02
      3 -0.160751D+01 -0.160442D+01  0.659059D+02
 Isotropic polarizability for W=    0.093368       74.06 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.209342D+02 -0.175891D+02 -0.252823D+02
      2   0.112658D+02  0.162556D+02  0.968588D+01
      3   0.966841D+01  0.133344D+01  0.155964D+02
      4  -0.874911D+01 -0.302115D+02 -0.842638D+01
      5  -0.219133D+02 -0.614271D+01 -0.402751D+02
      6  -0.101829D+00  0.222989D+01  0.563233D+01
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1   0.298893D+01  0.350435D+00 -0.213749D+01
      2  -0.940730D+01 -0.323517D+01 -0.188106D+02
      3   0.589549D+01  0.146532D+02  0.271758D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1   0.228367D+01 -0.745598D+01 -0.429889D+01
      2  -0.336898D+01 -0.832455D+01 -0.499435D+02
      3   0.883996D+01  0.414773D+02  0.604088D+01
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1   0.312122D+00  0.911095D+00 -0.371864D+00
      2   0.911095D+00  0.772115D+00 -0.189455D-01
      3  -0.371864D+00 -0.189455D-01  0.138710D+01
 OR G Eigenvalues:    -0.4417     1.2145     1.6985  Iso=    -0.8238
 Eigenvectors:
   (1)   0.791290  -0.591529   0.154771
   (2)   0.309343   0.605635   0.733153
   (3)  -0.527416  -0.532259   0.662218
 w=    0.093368 a.u., Optical Rotation Beta=     -0.8238 au.
 Molar Mass =     98.1444 grams/mole, [Alpha] ( 4880.0 A) =     -473.10 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   31626 ScalPx= 6.94D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   31626 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.51D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.68D-14 2.78D-09 XBig12= 1.00D+00 3.70D-01.
     30 vectors produced by pass  1 Test12= 1.68D-14 2.78D-09 XBig12= 2.00D-02 2.58D-02.
     30 vectors produced by pass  2 Test12= 1.68D-14 2.78D-09 XBig12= 1.08D-03 6.12D-03.
     30 vectors produced by pass  3 Test12= 1.68D-14 2.78D-09 XBig12= 1.89D-05 8.80D-04.
     30 vectors produced by pass  4 Test12= 1.68D-14 2.78D-09 XBig12= 2.89D-07 5.80D-05.
     30 vectors produced by pass  5 Test12= 1.68D-14 2.78D-09 XBig12= 2.66D-09 5.99D-06.
     30 vectors produced by pass  6 Test12= 1.68D-14 2.78D-09 XBig12= 2.04D-11 5.33D-07.
     29 vectors produced by pass  7 Test12= 1.68D-14 2.78D-09 XBig12= 1.31D-13 3.23D-08.
      1 vectors produced by pass  8 Test12= 1.68D-14 2.78D-09 XBig12= 8.84D-16 3.00D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   240 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   31626 ScalPx= 2.42D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   31626 ScalPx= 2.42D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   31626 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.56D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.816393D+02 -0.102934D+01 -0.160751D+01
      2  -0.102934D+01  0.746440D+02 -0.160442D+01
      3  -0.160751D+01 -0.160442D+01  0.659059D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.298893D+01  0.350435D+00 -0.213749D+01
      2  -0.940730D+01 -0.323517D+01 -0.188106D+02
      3   0.589549D+01  0.146532D+02  0.271758D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.209342D+02 -0.175891D+02 -0.252823D+02
      2   0.112658D+02  0.162556D+02  0.968588D+01
      3   0.966841D+01  0.133344D+01  0.155964D+02
      4  -0.874911D+01 -0.302115D+02 -0.842638D+01
      5  -0.219133D+02 -0.614271D+01 -0.402751D+02
      6  -0.101829D+00  0.222989D+01  0.563233D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.220378D+00 -0.220284D+01 -0.131607D+01 -0.188773D+01 -0.367253D+01
      2  -0.220284D+01 -0.526403D+01  0.591738D+00 -0.367253D+01 -0.259356D-01
      3  -0.131607D+01  0.591738D+00  0.530562D+00  0.771971D-01 -0.976737D+00
                 6             7             8             9            10 
      1   0.771971D-01 -0.138672D+01 -0.109999D+01  0.866380D+00 -0.605603D+01
      2  -0.976737D+00 -0.109999D+01 -0.289816D+00 -0.103391D+01  0.395929D+01
      3  -0.330314D+00  0.866380D+00 -0.103391D+01  0.505427D+01  0.108345D+01
                11            12            13            14            15 
      1   0.395929D+01  0.108345D+01  0.305706D+01  0.646192D+00 -0.792693D+00
      2   0.415747D+01 -0.237727D+01  0.646192D+00 -0.283801D+01  0.552791D+00
      3  -0.237727D+01  0.878625D+00 -0.792693D+00  0.552791D+00  0.375199D+00
                16            17            18            19            20 
      1   0.136986D+01 -0.961207D+00 -0.455499D+00  0.118259D+01 -0.287761D+01
      2  -0.961207D+00 -0.935058D+00  0.865615D+00 -0.287761D+01 -0.127356D+01
      3  -0.455499D+00  0.865615D+00 -0.816942D-01  0.121936D+01  0.106220D+01
                21            22            23            24            25 
      1   0.121936D+01 -0.190755D+01 -0.214547D-01  0.244526D+00 -0.851194D+00
      2   0.106220D+01 -0.214547D-01  0.662238D+01  0.128019D+01  0.399593D+00
      3  -0.258476D+01  0.244526D+00  0.128019D+01 -0.304971D+00 -0.173920D+01
                26            27            28            29            30 
      1   0.399593D+00 -0.173920D+01 -0.133939D+01  0.236836D+01 -0.208428D+01
      2   0.242215D+01  0.249753D+00  0.236836D+01 -0.303846D+01  0.102623D+01
      3   0.249753D+00 -0.543843D+01 -0.208428D+01  0.102623D+01  0.413707D+01
                31            32            33            34            35 
      1   0.190621D+01 -0.220041D+01  0.854513D+00 -0.173720D+01  0.694090D+00
      2  -0.220041D+01 -0.500946D+01 -0.792101D+00  0.694090D+00  0.683594D+00
      3   0.854513D+00 -0.792101D+00  0.181574D+01  0.490547D+01  0.202118D+01
                36            37            38            39            40 
      1   0.490547D+01  0.221330D+00 -0.167542D+01  0.254046D+01 -0.720939D+00
      2   0.202118D+01 -0.167542D+01  0.332212D+01 -0.103825D+01  0.359630D+01
      3  -0.239164D+00  0.254046D+01 -0.103825D+01 -0.136115D+01 -0.135689D+01
                41            42            43            44            45 
      1   0.359630D+01 -0.135689D+01  0.274290D+01 -0.206750D+01 -0.105326D+01
      2   0.243468D+01  0.159594D+00 -0.206750D+01 -0.125348D+00 -0.343827D+01
      3   0.159594D+00 -0.223117D+01 -0.105326D+01 -0.343827D+01 -0.482294D+01
                46            47            48            49            50 
      1   0.152041D+02 -0.362317D+01 -0.207771D+01 -0.309972D+01  0.378587D+01
      2  -0.362317D+01  0.119605D+01  0.101042D+01  0.378587D+01 -0.224209D+01
      3  -0.207771D+01  0.101042D+01  0.146018D+01  0.717089D+00 -0.112772D+01
                51            52            53            54            55 
      1   0.717089D+00 -0.212725D+01  0.693998D+00  0.384906D+01 -0.633978D+00
      2  -0.112772D+01  0.693998D+00 -0.350907D+00 -0.152650D+01  0.526883D+00
      3  -0.752123D+00  0.384906D+01 -0.152650D+01 -0.194815D+01 -0.898015D+00
                56            57            58            59            60 
      1   0.526883D+00 -0.898015D+00  0.141525D+00  0.230832D+00  0.140052D+00
      2   0.505921D+00 -0.489214D-01  0.230832D+00  0.838072D+00 -0.929194D+00
      3  -0.489214D-01 -0.414684D+00  0.140052D+00 -0.929194D+00  0.560634D+00
                61            62            63            64            65 
      1  -0.159721D+01  0.276315D+00 -0.649935D-01  0.420308D+01  0.324978D+01
      2   0.276315D+00 -0.219691D+01  0.218357D+01  0.324978D+01  0.443655D+01
      3  -0.649935D-01  0.218357D+01 -0.797898D+01  0.269487D+00 -0.309911D-01
                66            67            68            69            70 
      1   0.269487D+00  0.275536D+01  0.296381D+01  0.899609D-01  0.113904D+01
      2  -0.309911D-01  0.296381D+01  0.592682D+01  0.501431D+00  0.903024D+00
      3   0.652558D+00  0.899609D-01  0.501431D+00  0.929522D+00  0.480399D+00
                71            72            73            74            75 
      1   0.903024D+00  0.480399D+00  0.785728D+00  0.497376D-01  0.133582D+01
      2   0.135225D+01  0.120802D+01  0.497376D-01  0.633256D+00 -0.757363D+00
      3   0.120802D+01 -0.252485D-02  0.133582D+01 -0.757363D+00  0.202860D+01
                76            77            78            79            80 
      1   0.462972D+00  0.959081D-01 -0.111687D+00  0.231465D+01 -0.301203D+00
      2   0.959081D-01 -0.969341D+00  0.107097D+01 -0.301203D+00  0.148722D+01
      3  -0.111687D+00  0.107097D+01 -0.289557D+00  0.143705D+01 -0.180230D+01
                81            82            83            84            85 
      1   0.143705D+01 -0.139025D+00 -0.967107D+00 -0.416931D+00 -0.163014D+01
      2  -0.180230D+01 -0.967107D+00  0.407264D+00 -0.244842D+00 -0.263733D-01
      3   0.926645D+01 -0.416931D+00 -0.244842D+00  0.247855D+00 -0.826915D-01
                86            87            88            89            90 
      1  -0.263733D-01 -0.826915D-01 -0.563781D+00  0.138688D+00  0.635125D-01
      2  -0.933073D+01 -0.324780D+00  0.138688D+00 -0.257005D+01 -0.118921D+01
      3  -0.324780D+00 -0.127183D+01  0.635125D-01 -0.118921D+01  0.200823D+00
                91            92            93            94            95 
      1  -0.483116D+01 -0.985422D+00  0.283786D+01 -0.713661D+00 -0.760995D+00
      2  -0.985422D+00 -0.715973D+00  0.193497D+00 -0.760995D+00 -0.675891D-01
      3   0.283786D+01  0.193497D+00 -0.343312D+01  0.148746D+00  0.101369D+01
                96            97            98            99           100 
      1   0.148746D+00  0.327969D+01  0.407940D+00 -0.354145D+01  0.330839D+01
      2   0.101369D+01  0.407940D+00  0.993637D+00 -0.819235D+00 -0.266423D+01
      3  -0.778944D+00 -0.354145D+01 -0.819235D+00  0.527305D+01  0.176988D+01
               101           102           103           104           105 
      1  -0.266423D+01  0.176988D+01 -0.329166D+01  0.398531D+01 -0.126758D+01
      2   0.284489D+01 -0.109537D+01  0.398531D+01  0.583416D+01  0.578831D+00
      3  -0.109537D+01 -0.365908D+01 -0.126758D+01  0.578831D+00 -0.153970D+01
               106           107           108           109           110 
      1   0.118751D+01 -0.125180D+01 -0.412009D+01  0.490569D+00  0.750024D+00
      2  -0.125180D+01 -0.764404D+00 -0.158368D+01  0.750024D+00  0.673611D-01
      3  -0.412009D+01 -0.158368D+01  0.978068D+00  0.720770D+00  0.389181D+00
               111           112           113           114           115 
      1   0.720770D+00  0.675342D+00 -0.296778D+00  0.553343D-01  0.118744D+01
      2   0.389181D+00 -0.296778D+00  0.216228D+01  0.209268D+01  0.400852D+00
      3   0.768955D+00  0.553343D-01  0.209268D+01  0.231074D+01  0.622258D-01
               116           117           118           119           120 
      1   0.400852D+00  0.622258D-01 -0.459571D+01  0.300450D+01 -0.118075D+01
      2   0.307371D+01  0.359959D+01  0.300450D+01 -0.367708D+01  0.665260D+00
      3   0.359959D+01  0.739604D+01 -0.118075D+01  0.665260D+00 -0.933693D+00
               121           122           123           124           125 
      1   0.242281D+01 -0.278893D+01  0.578333D+00 -0.191020D+01  0.124782D+01
      2  -0.278893D+01  0.417244D+01 -0.784534D+00  0.124782D+01 -0.188977D+01
      3   0.578333D+00 -0.784534D+00  0.119631D+01 -0.100809D+01  0.156829D+01
               126           127           128           129           130 
      1  -0.100809D+01  0.190010D+01  0.514063D+00 -0.132667D+01  0.588701D+00
      2   0.156829D+01  0.514063D+00  0.529776D+00  0.275375D+00 -0.270803D-01
      3  -0.616576D+00 -0.132667D+01  0.275375D+00  0.300777D+01  0.803887D-01
               131           132           133           134           135 
      1  -0.270803D-01  0.803887D-01 -0.195570D+01 -0.793343D-01  0.135135D+01
      2  -0.472970D+00 -0.781208D+00 -0.793343D-01 -0.103973D+01 -0.116822D+00
      3  -0.781208D+00  0.425478D+00  0.135135D+01 -0.116822D+00 -0.589687D+01
               136           137           138           139           140 
      1  -0.785618D+01  0.206175D+01 -0.207250D+01  0.379661D+01 -0.216946D+01
      2   0.206175D+01 -0.204938D+01  0.462356D+00 -0.216946D+01  0.137250D+01
      3  -0.207250D+01  0.462356D+00 -0.130410D+01  0.120027D+01 -0.551062D+00
               141           142           143           144           145 
      1   0.120027D+01 -0.122601D+01  0.492459D+00 -0.986148D+00 -0.206474D+01
      2  -0.551062D+00  0.492459D+00 -0.137918D+00  0.570942D+00 -0.148859D+01
      3   0.128958D+01 -0.986148D+00  0.570942D+00 -0.962974D+00 -0.404163D+00
               146           147           148           149           150 
      1  -0.148859D+01 -0.404163D+00 -0.255518D+01 -0.334020D+01 -0.574865D+00
      2  -0.208217D+01 -0.832554D-01 -0.334020D+01 -0.840720D+01 -0.982831D+00
      3  -0.832554D-01 -0.215836D-01 -0.574865D+00 -0.982831D+00 -0.140460D+01
               151           152           153 
      1   0.134178D+00  0.106258D+00 -0.467096D-01
      2   0.106258D+00  0.287361D+00 -0.757058D+00
      3  -0.467096D-01 -0.757058D+00 -0.180413D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.528351D+01  0.429872D+01 -0.193055D+01  0.192680D+01  0.257194D+01
      2  -0.101569D+01 -0.127743D+01  0.122624D+01 -0.167432D+01 -0.327566D+01
      3   0.500760D+01  0.732844D+00 -0.474100D+01  0.642133D+01 -0.485412D+01
                 6             7             8             9            10 
      1  -0.439011D+01 -0.482828D+01  0.495570D+01 -0.710718D+01 -0.280062D+01
      2  -0.102281D+01 -0.310867D+01 -0.261168D+01  0.776876D+01 -0.406662D+01
      3  -0.113709D+00 -0.388288D+01 -0.307872D+01  0.427053D+01  0.129829D+01
                11            12            13            14            15 
      1   0.823779D+01 -0.316818D+01  0.548619D+01  0.605052D+01  0.101859D+01
      2  -0.783482D+01 -0.457852D+01 -0.434463D+01 -0.698079D-01  0.185761D+01
      3  -0.450822D+01  0.445499D+01  0.947222D+00 -0.103431D+01 -0.211133D+01
                16            17            18            19            20 
      1   0.234531D+01  0.183783D+02 -0.740220D+01 -0.613514D+00 -0.384217D+00
      2  -0.120427D+02 -0.194194D+01  0.673734D+01 -0.407346D+01  0.465034D+01
      3   0.288058D+01 -0.534184D+01  0.343897D-01 -0.610405D+00  0.387957D+01
                21            22            23            24            25 
      1  -0.497709D+01  0.130650D+01  0.869961D+01 -0.273711D+01 -0.684785D+00
      2   0.107380D+01  0.384559D+01 -0.654104D+00  0.262613D+01 -0.491605D+01
      3  -0.240715D+01  0.834953D+01 -0.575898D+01  0.983518D+00 -0.156448D+01
                26            27            28            29            30 
      1   0.489788D+01 -0.768504D+01  0.143397D+01 -0.195725D+01  0.101697D+01
      2   0.113494D+01 -0.201832D+01  0.825553D+01 -0.198856D+01 -0.173549D+01
      3   0.722029D+00  0.168649D+01  0.504179D+01 -0.893654D+01  0.168583D+01
                31            32            33            34            35 
      1  -0.295197D+01 -0.339382D+01 -0.293464D+01 -0.987417D-01  0.477784D+01
      2  -0.361218D+01  0.127520D+01 -0.239502D+01 -0.904313D+01 -0.410839D+01
      3  -0.275242D+01 -0.696967D+01  0.553830D-01  0.102432D+01  0.201896D+00
                36            37            38            39            40 
      1   0.617449D+00 -0.438074D+01  0.544229D+01  0.208604D+01  0.556881D+01
      2  -0.486656D+00 -0.630430D+01  0.343548D+01  0.173796D+01  0.250038D+01
      3   0.132535D+01 -0.539060D+01 -0.117093D+01  0.331066D+01  0.493255D+01
                41            42            43            44            45 
      1   0.290520D+01  0.204983D+01  0.170494D+01  0.919569D+01  0.476360D+01
      2  -0.239399D+01  0.258537D+01 -0.410035D+01  0.473837D+01  0.420850D+01
      3   0.889374D+01 -0.167308D+01  0.364775D+01 -0.369131D+01 -0.401152D+01
                46            47            48            49            50 
      1   0.106760D+01 -0.508845D+01  0.388057D+01 -0.159921D+01 -0.238085D+00
      2  -0.830550D+00  0.166494D+01  0.122227D+02  0.140701D+01 -0.120391D+01
      3  -0.167035D+01 -0.118399D+02 -0.105528D+00 -0.131527D+01  0.608432D+01
                51            52            53            54            55 
      1  -0.290774D+01 -0.483746D+00 -0.351874D+01  0.164211D+01  0.874292D-01
      2  -0.365089D+01  0.433399D+01  0.749860D-01 -0.606872D+01 -0.182804D+01
      3   0.989059D+00  0.140655D+01  0.406537D+01  0.347675D+00 -0.181878D+01
                56            57            58            59            60 
      1   0.884055D+00  0.820558D+00  0.139948D+01  0.494704D-01 -0.779959D+00
      2   0.260989D+00  0.220638D-01 -0.102100D+00 -0.497932D+00  0.491330D-01
      3  -0.106923D+01 -0.577167D+00  0.567573D+00  0.860780D+00  0.231841D+00
                61            62            63            64            65 
      1   0.811226D+00 -0.242638D+01  0.141972D+02 -0.158262D+01 -0.548975D+01
      2  -0.343810D+01  0.295762D+01 -0.930474D+01  0.204179D+01  0.225333D+01
      3  -0.278902D+01  0.301481D+01 -0.223758D+01  0.399207D+01 -0.559856D+00
                66            67            68            69            70 
      1  -0.163709D+01 -0.242557D+01 -0.435268D+01 -0.291774D+01 -0.131202D+01
      2   0.242451D+01  0.190886D+01  0.321771D+01  0.158962D+01  0.190351D+00
      3   0.646203D+00  0.463968D+01 -0.171985D+00 -0.442351D+00  0.166145D+01
                71            72            73            74            75 
      1  -0.185893D+01 -0.662883D+00 -0.106882D+00 -0.101057D+01  0.430840D+01
      2   0.168371D+01  0.244629D+00  0.803016D+00 -0.467135D-01 -0.473556D+00
      3  -0.255783D+00 -0.190066D+00 -0.251121D+00 -0.183309D+01 -0.141129D+01
                76            77            78            79            80 
      1  -0.123725D+01  0.128904D+00  0.216412D+00  0.108229D+01 -0.195498D+00
      2  -0.685421D+00  0.542919D-01 -0.346410D-02 -0.406386D+01  0.478012D+00
      3   0.401387D+00  0.115251D+00 -0.129039D-02 -0.266857D+01  0.244570D+00
                81            82            83            84            85 
      1   0.119104D+02  0.987864D-01  0.104293D+00 -0.435556D+00 -0.145127D+01
      2   0.774936D+00 -0.918061D+00 -0.717825D-01  0.165771D+01  0.140877D+01
      3  -0.230061D+01  0.468190D+00 -0.131281D+01  0.872727D+00  0.562011D+01
                86            87            88            89            90 
      1  -0.113282D+02 -0.390962D+01 -0.436319D+00 -0.308227D+01 -0.148989D+01
      2   0.163995D+00 -0.661183D+00 -0.226343D+00  0.441026D-01 -0.310892D+00
      3   0.279199D+01 -0.507533D-01  0.195584D+01  0.117117D+01  0.162868D+00
                91            92            93            94            95 
      1  -0.485318D+00 -0.170830D+01 -0.713860D+00 -0.332153D+00  0.875162D-01
      2   0.447043D+00  0.326983D+00  0.442582D+01  0.489721D+00 -0.859656D+00
      3   0.227746D+00 -0.273867D+01 -0.629407D+00  0.576872D+00 -0.449895D-01
                96            97            98            99           100 
      1  -0.331915D+00  0.228502D+00  0.285427D+01  0.841680D-01  0.474332D+01
      2   0.137207D+01 -0.607134D-01  0.884925D+00 -0.550680D+01  0.268227D+00
      3   0.137843D+01 -0.925909D+00  0.288586D+01 -0.250333D+00 -0.919116D+01
               101           102           103           104           105 
      1  -0.455574D+01 -0.260113D+01 -0.679530D+01 -0.677109D+01 -0.450417D+01
      2   0.265131D+00  0.140943D+02  0.265774D+00  0.290237D+01  0.226876D+01
      3   0.711675D+01 -0.420638D+01  0.136499D+02  0.103303D+02  0.205948D+01
               106           107           108           109           110 
      1  -0.171065D+01  0.210876D+00  0.336253D+01  0.180542D+00 -0.648571D+00
      2   0.838848D+01  0.227095D+01 -0.687211D+01 -0.883506D+00 -0.100876D+01
      3  -0.391866D+01  0.154184D+00 -0.496906D+00  0.188707D+01  0.160413D+00
               111           112           113           114           115 
      1  -0.952763D+00 -0.337840D+00 -0.113659D+01 -0.366878D+01 -0.986262D-03
      2   0.357645D-01 -0.139836D+01 -0.140213D+01 -0.193726D+01 -0.326333D+01
      3   0.120707D+01  0.210163D+01  0.619594D+00  0.200964D+01  0.304017D+01
               116           117           118           119           120 
      1  -0.428909D+00 -0.994801D+01  0.270296D+01 -0.206063D+01  0.277974D+01
      2  -0.295074D+01 -0.600527D+01  0.309268D+01 -0.233615D+01  0.328489D+01
      3   0.304678D+01  0.250210D+01 -0.569585D+01 -0.130490D+01 -0.115155D+01
               121           122           123           124           125 
      1  -0.229829D+01  0.271375D+01 -0.387593D+01  0.167621D+01 -0.169096D+01
      2  -0.145573D+01  0.216373D+01 -0.237947D+01  0.885336D+00 -0.233541D+01
      3   0.366121D+01 -0.106868D+00  0.114889D+00 -0.306885D+01 -0.100121D+01
               126           127           128           129           130 
      1   0.222866D+01 -0.229419D+01 -0.177649D+01  0.265242D+01 -0.392660D+00
      2   0.179280D+01  0.703869D+01  0.694497D+00 -0.696453D+01  0.119763D+01
      3   0.120143D+00 -0.873729D+00 -0.446059D+00  0.136807D+01  0.489147D+00
               131           132           133           134           135 
      1  -0.476264D+00  0.335460D+00  0.203923D+01  0.337099D+01 -0.473308D+01
      2   0.170894D+01 -0.865406D+00 -0.866222D+01 -0.347703D+00  0.135608D+02
      3  -0.646084D+00 -0.133607D+01  0.126706D+01 -0.128662D+01 -0.130565D+01
               136           137           138           139           140 
      1  -0.402046D+01  0.337954D+01 -0.690631D+00  0.269989D+01 -0.224070D+01
      2  -0.254653D+01  0.101943D+01  0.375317D+01  0.122072D+01 -0.642812D+00
      3   0.899923D+01 -0.885024D+01  0.244428D+01 -0.557474D+01  0.571178D+01
               141           142           143           144           145 
      1   0.329606D-01 -0.116175D+01  0.163818D+01 -0.120859D+01  0.686243D+00
      2  -0.305366D+01 -0.738503D+00 -0.917025D+00  0.186013D+01 -0.283601D+00
      3  -0.160141D+01  0.218552D+01 -0.115995D+01  0.213846D+01 -0.905506D+00
               146           147           148           149           150 
      1   0.233328D+01 -0.437832D+00  0.223721D+01  0.753255D+01 -0.365264D+01
      2  -0.808894D+00  0.750319D+00 -0.971716D+00 -0.486233D+00  0.362047D+01
      3  -0.464524D+01  0.415604D-01 -0.188997D+01 -0.163349D+02 -0.129624D+01
               151           152           153 
      1   0.315084D+00  0.248113D+00  0.628865D+00
      2  -0.959907D+00  0.145934D+01  0.429633D+00
      3  -0.250853D+00  0.308797D+00 -0.179535D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.421240D-01  0.244558D+01  0.433139D+00 -0.363498D+01 -0.576328D+01
      2  -0.497575D+01 -0.163874D+02  0.852608D+00 -0.721881D+01  0.187252D+01
      3   0.501788D+01  0.139418D+02 -0.128575D+01  0.108538D+02  0.389076D+01
      4  -0.624472D+01 -0.152809D+02 -0.357610D+01 -0.662629D+01 -0.155485D+02
      5  -0.251465D-01 -0.223370D+01  0.217913D+00 -0.156408D+01 -0.160441D+01
      6  -0.435804D+01 -0.303049D+00  0.367291D+01 -0.211665D+01 -0.430823D+01
                 6             7             8             9            10 
      1   0.244889D+01  0.506861D+01 -0.423332D+01  0.109066D+02 -0.405552D+02
      2  -0.395443D+01 -0.310978D+01 -0.630360D+01  0.402426D+01  0.205054D+02
      3   0.150555D+01 -0.195883D+01  0.105369D+02 -0.149309D+02  0.200498D+02
      4  -0.150044D+01 -0.795337D+01 -0.282384D+00 -0.331379D+01  0.177249D+02
      5  -0.154687D+01 -0.366907D+00 -0.109518D+01  0.447127D+01  0.949612D+01
      6   0.388364D+01  0.388791D+01 -0.389737D+01  0.157096D+02 -0.430114D+01
                11            12            13            14            15 
      1   0.693395D+01  0.136970D+01  0.150327D+02  0.727374D+00 -0.554039D+01
      2   0.289582D+01 -0.585718D+01 -0.936964D+01 -0.313538D+01  0.188321D+01
      3  -0.982977D+01  0.448747D+01 -0.566308D+01  0.240801D+01  0.365717D+01
      4  -0.102820D+02 -0.261179D+01 -0.282266D+01  0.216847D+01  0.149095D+01
      5  -0.178745D+01 -0.972384D+01 -0.253626D+01  0.227737D+01  0.467940D+01
      6   0.693943D+01  0.288740D+01  0.247167D+01  0.102377D+01 -0.444548D+01
                16            17            18            19            20 
      1   0.100575D+02 -0.468102D+01 -0.723551D+01 -0.241665D+01 -0.331379D+01
      2  -0.490388D+01  0.288053D+01 -0.105333D+01  0.410349D+01  0.179938D+01
      3  -0.515359D+01  0.180049D+01  0.828884D+01 -0.168684D+01  0.151441D+01
      4  -0.174125D+01  0.565107D+01  0.336856D+01  0.151512D-01  0.235491D+01
      5   0.146492D+01  0.146479D+01  0.754038D+01 -0.450152D+01 -0.120181D+01
      6   0.174292D+01  0.418922D+00  0.637531D+00 -0.396808D+01 -0.310369D+01
                21            22            23            24            25 
      1   0.601465D+01  0.451958D+01  0.729359D+01  0.338882D+01  0.348540D+00
      2   0.345654D+01 -0.405978D+01 -0.199886D+02 -0.306069D+01  0.171642D+01
      3  -0.947119D+01 -0.459804D+00  0.126950D+02 -0.328132D+00 -0.206496D+01
      4  -0.605451D+00 -0.106590D+00  0.333277D+01 -0.496001D+00 -0.111118D+01
      5   0.386102D+00 -0.115377D+01 -0.215671D+00  0.396146D+01  0.309432D+01
      6   0.590016D+01  0.672996D+00 -0.394630D+01  0.391541D+01  0.137545D+01
                26            27            28            29            30 
      1   0.156478D+01  0.185932D+02  0.601302D+00 -0.383493D+01  0.622868D+01
      2  -0.859542D+01  0.493107D+01  0.326974D+01  0.124690D+01 -0.499373D+01
      3   0.703064D+01 -0.235242D+02 -0.387104D+01  0.258802D+01 -0.123495D+01
      4  -0.205584D+01  0.331519D+01 -0.415728D+01  0.209893D+01 -0.169476D+01
      5   0.266488D+01 -0.106532D+02  0.124319D+02  0.107924D+01 -0.186138D+02
      6   0.926149D+00  0.113160D+02  0.256876D+01 -0.208124D+01 -0.490848D+01
                31            32            33            34            35 
      1  -0.753002D+01  0.717362D+01 -0.346964D+01  0.611598D+00 -0.395590D+01
      2   0.526333D+01 -0.418922D+01  0.245578D+01 -0.462657D+01  0.943113D+00
      3   0.226669D+01 -0.298440D+01  0.101387D+01  0.401497D+01  0.301278D+01
      4   0.462089D+01  0.759304D+01  0.538823D+00 -0.556651D+01 -0.333456D+01
      5  -0.108469D+01  0.892171D+00 -0.613717D+01 -0.222404D+02 -0.776326D+01
      6   0.572948D+00 -0.122407D+01 -0.187889D+01 -0.530075D+01 -0.335641D+00
                36            37            38            39            40 
      1  -0.165563D+02 -0.303889D+01  0.163570D+01 -0.394978D+00  0.318105D+01
      2   0.137005D+02 -0.425938D+01  0.973278D+01 -0.152098D+01  0.752863D+01
      3   0.285579D+01  0.729827D+01 -0.113685D+02  0.191596D+01 -0.107097D+02
      4  -0.934042D+01  0.425388D+01 -0.132228D+02  0.846687D+01 -0.111164D+02
      5   0.930721D+01 -0.665799D+01  0.359721D+01  0.152350D+01  0.927089D+00
      6   0.121588D+01  0.588472D+01 -0.443163D+01 -0.375680D+01 -0.390459D+01
                41            42            43            44            45 
      1  -0.620117D+01  0.596116D+01 -0.752483D+00  0.986737D+01  0.146584D+02
      2   0.795997D+01  0.215153D+01 -0.229626D+01  0.283546D+01 -0.551313D+01
      3  -0.175881D+01 -0.811269D+01  0.304874D+01 -0.127028D+02 -0.914525D+01
      4   0.661816D+01 -0.326260D+01  0.131641D+02 -0.242263D+01  0.669930D+01
      5  -0.263232D+01  0.163708D+01  0.306575D+01  0.445921D+01  0.243405D+01
      6   0.188277D+01 -0.963192D+01 -0.100405D+01 -0.116001D+02 -0.195692D+02
                46            47            48            49            50 
      1   0.857830D+02 -0.131697D+02 -0.667416D+01 -0.135324D+02  0.100801D+02
      2  -0.448517D+02  0.308787D+01  0.621998D+01  0.418929D+01  0.303261D+00
      3  -0.409312D+02  0.100819D+02  0.454183D+00  0.934316D+01 -0.103834D+02
      4  -0.259455D+02  0.222915D+02  0.420319D+01  0.244132D+02 -0.157531D+02
      5  -0.119985D+02  0.291527D+01  0.207288D+02  0.421252D+01 -0.436152D+01
      6   0.755827D+01 -0.431939D+01 -0.516049D+01 -0.458531D+01  0.402123D+01
                51            52            53            54            55 
      1   0.188432D+01 -0.756588D+01  0.217187D+01  0.111390D+02 -0.217664D+01
      2  -0.112550D+01  0.655024D+01 -0.119665D+00 -0.108926D+02 -0.663664D+00
      3  -0.758817D+00  0.101564D+01 -0.205220D+01 -0.246404D+00  0.284031D+01
      4  -0.535919D+01  0.541484D+01 -0.532793D+01 -0.760474D+01  0.279812D+00
      5  -0.634953D+01  0.233756D+02 -0.696546D+01 -0.125051D+02 -0.311356D+00
      6   0.705294D+01 -0.601183D+01  0.771633D+01  0.366934D+01 -0.243149D+01
                56            57            58            59            60 
      1   0.850184D+00 -0.160160D+01 -0.131488D+00 -0.469307D+01  0.310168D+01
      2   0.587870D+00  0.423018D+00  0.905975D+00  0.384673D+01 -0.361842D+01
      3  -0.143805D+01  0.117858D+01 -0.774487D+00  0.846335D+00  0.516738D+00
      4   0.461420D+01 -0.216408D+01  0.211697D+01  0.252437D+01 -0.854526D+00
      5  -0.110739D+01  0.481495D+01  0.515235D+00 -0.347105D+00 -0.328975D+00
      6  -0.233540D+00 -0.196947D+01 -0.155809D+00 -0.419561D+01  0.652427D+01
                61            62            63            64            65 
      1  -0.340052D+01  0.922059D+01 -0.196187D+02  0.821800D+01 -0.302610D+00
      2   0.159111D+01 -0.318453D+01 -0.848273D+01  0.450542D+01  0.131046D+02
      3   0.180941D+01 -0.603605D+01  0.281014D+02 -0.127234D+02 -0.128020D+02
      4  -0.287268D+01 -0.331430D+01  0.480059D+01  0.207182D+02  0.238221D+02
      5   0.492793D+01  0.213041D+01 -0.794628D+01  0.997027D+00  0.556923D+00
      6  -0.166389D+00  0.122015D+02 -0.241936D+02  0.106427D+01  0.345754D+00
                66            67            68            69            70 
      1   0.386122D+00 -0.286733D+00 -0.898727D+01  0.277916D+00  0.837277D+00
      2   0.144784D+00  0.103557D+02  0.257719D+02  0.158269D+01  0.932970D+00
      3  -0.530906D+00 -0.100690D+02 -0.167846D+02 -0.186061D+01 -0.177025D+01
      4   0.916216D+00  0.169741D+02  0.239465D+02  0.156353D+01  0.504971D+01
      5   0.414086D+01  0.795824D+00  0.234114D+01  0.229745D+01  0.339939D+01
      6   0.309487D+01  0.373743D+00  0.118252D+01  0.528724D+01  0.303173D+01
                71            72            73            74            75 
      1  -0.463730D+00 -0.298210D+01  0.486441D+00  0.237648D+01 -0.399674D+01
      2   0.515895D+01  0.241150D+01 -0.410443D+01 -0.519990D+00 -0.323316D+01
      3  -0.469522D+01  0.570597D+00  0.361798D+01 -0.185649D+01  0.722990D+01
      4   0.489913D+01  0.511526D+01 -0.160564D+01  0.340729D+01 -0.383821D+01
      5   0.398631D+01  0.158468D+01  0.528542D+01 -0.233019D+01  0.952712D+01
      6   0.714577D+01  0.534376D+00 -0.256428D+01  0.313476D+01 -0.529521D+01
                76            77            78            79            80 
      1   0.207002D+00 -0.615172D+01  0.216794D+01 -0.148113D+01  0.695963D+01
      2   0.625629D+00  0.391105D+01 -0.319701D+01 -0.258851D+01 -0.807993D+00
      3  -0.832631D+00  0.224067D+01  0.102908D+01  0.406964D+01 -0.615164D+01
      4   0.124335D+01 -0.383707D+00  0.128943D+01 -0.412228D+01  0.211770D+01
      5   0.254503D+00  0.149139D+01 -0.230029D+00  0.671812D+01 -0.231031D+01
      6   0.134312D+01 -0.345452D+01  0.669398D+01 -0.279617D+01  0.102863D+02
                81            82            83            84            85 
      1  -0.265549D+02  0.195511D+00  0.364538D+00 -0.108866D+01 -0.126821D+01
      2  -0.138470D+02  0.292327D+01 -0.108969D+01  0.594926D+00  0.127948D+01
      3   0.404019D+02 -0.311878D+01  0.725152D+00  0.493733D+00 -0.112769D-01
      4  -0.332264D+01 -0.265010D+00  0.839817D+01  0.481582D+00  0.677643D+01
      5   0.118242D+02 -0.530410D+00 -0.110585D+01  0.196315D+01 -0.451857D+00
      6  -0.205433D+02  0.748647D+00  0.568316D+00 -0.250227D+00  0.434273D+00
                86            87            88            89            90 
      1  -0.245637D+02  0.669391D+00 -0.436473D+00 -0.374387D+01 -0.544928D+01
      2   0.437281D+02  0.188373D+01  0.135178D+00  0.875920D+01  0.333034D+01
      3  -0.191644D+02 -0.255312D+01  0.301295D+00 -0.501534D+01  0.211894D+01
      4  -0.174471D+01 -0.130588D-01  0.240590D+01 -0.143690D+01 -0.233693D+00
      5   0.227339D+00 -0.630699D+00  0.828158D+00 -0.120035D+00  0.768048D+00
      6  -0.385098D+01  0.648959D+01  0.133988D+00  0.606949D+01  0.712860D+00
                91            92            93            94            95 
      1   0.171429D+02  0.235451D+01 -0.810892D+01  0.241531D+01  0.126150D+00
      2  -0.150134D+02 -0.196531D+01  0.984475D+01 -0.150125D+01  0.619528D-01
      3  -0.212950D+01 -0.389198D+00 -0.173583D+01 -0.914058D+00 -0.188103D+00
      4   0.520213D+01  0.515563D+01 -0.211094D+01  0.560957D+01  0.132556D+01
      5  -0.204970D+02 -0.233630D+01  0.205265D+02 -0.206037D+01 -0.534556D+01
      6  -0.283218D+01 -0.246133D+01  0.349125D+01 -0.281115D+01 -0.194005D+01
                96            97            98            99           100 
      1  -0.897637D-01 -0.702679D+01 -0.135524D+00  0.225812D+01 -0.184648D+02
      2   0.117436D+00  0.117331D+02  0.126651D+01 -0.159103D+02  0.117478D+02
      3  -0.276721D-01 -0.470628D+01 -0.113098D+01  0.136522D+02  0.671701D+01
      4  -0.404155D+01 -0.249634D+01 -0.338053D+01  0.317244D+01  0.120774D+02
      5   0.323001D+01  0.214772D+02  0.361150D+01 -0.264251D+02 -0.109160D+02
      6   0.567937D+01  0.300985D+01  0.496310D+01 -0.514125D+01  0.368613D+01
               101           102           103           104           105 
      1   0.162296D+02 -0.163326D+02  0.213208D+02 -0.107998D+02  0.484351D+01
      2  -0.146664D+02 -0.381096D+00 -0.195462D+02 -0.977729D+01 -0.587032D+01
      3  -0.156318D+01  0.167137D+02 -0.177466D+01  0.205771D+02  0.102681D+01
      4  -0.110086D+02  0.313355D+01 -0.167666D+02 -0.267442D+02 -0.165147D+01
      5   0.744572D+01  0.908778D+01  0.932777D+01 -0.408178D+01  0.623339D+01
      6  -0.363429D+01  0.651440D+01 -0.467004D+01 -0.541222D+01  0.282407D+01
               106           107           108           109           110 
      1  -0.125755D+02  0.440086D+01  0.194521D+02 -0.124290D+01 -0.281001D+01
      2   0.380814D-01 -0.406720D+01 -0.524884D+01  0.225540D+00  0.110716D+01
      3   0.125374D+02 -0.333659D+00 -0.142032D+02  0.101736D+01  0.170285D+01
      4   0.485243D+01  0.245305D+01  0.113903D+02 -0.259575D+00  0.474664D+01
      5   0.109835D+02  0.715361D+01  0.408427D+01  0.603381D+00  0.176265D+01
      6   0.724545D+01  0.200156D+01  0.810814D+00  0.332454D+01  0.251366D+01
               111           112           113           114           115 
      1  -0.267637D+01 -0.677286D+00 -0.929032D+01 -0.882847D+01 -0.206943D+01
      2   0.123110D+01 -0.587896D+00  0.834891D+01  0.560464D+01  0.119973D+01
      3   0.144527D+01  0.126518D+01  0.941416D+00  0.322383D+01  0.869702D+00
      4   0.240085D+01  0.441002D+01 -0.332826D+01 -0.201414D+01  0.340094D+01
      5   0.484155D+01  0.121100D+01 -0.170579D+01 -0.190559D+01  0.456027D+01
      6   0.345923D+01  0.560436D+00  0.119970D+02  0.144407D+02 -0.457275D+00
               116           117           118           119           120 
      1  -0.130424D+02 -0.212859D+02  0.104921D+02 -0.124099D+01  0.191319D+01
      2   0.674027D+01 -0.142166D+01  0.306754D+01 -0.102094D+02  0.866566D+00
      3   0.630213D+01  0.227075D+02 -0.135597D+02  0.114504D+02 -0.277976D+01
      4  -0.455758D+01 -0.536011D+01 -0.212250D+02  0.200777D+02 -0.515911D+01
      5  -0.407723D+01 -0.718749D+01  0.366685D+01 -0.200237D+01  0.455144D+01
      6   0.187821D+02  0.294104D+02 -0.339061D+01  0.186173D+01 -0.379648D+01
               121           122           123           124           125 
      1  -0.132390D+01 -0.400431D+01 -0.190636D-01  0.212041D+01  0.777512D+00
      2  -0.864000D+01  0.171387D+02 -0.355991D+01  0.164488D+01 -0.674660D+01
      3   0.996390D+01 -0.131344D+02  0.357898D+01 -0.376529D+01  0.596909D+01
      4   0.166764D+02 -0.192445D+02  0.400593D+01 -0.881078D+01  0.831770D+01
      5  -0.162332D+01  0.224691D+01 -0.264055D+01  0.486861D+01 -0.401140D+01
      6   0.183593D+01 -0.345266D+01  0.621207D+01 -0.385821D+01  0.714684D+01
               126           127           128           129           130 
      1  -0.185148D+01 -0.506714D+01 -0.116309D+01  0.111622D+02 -0.287915D+01
      2   0.234374D+01 -0.703687D+00  0.605238D+00  0.179081D+01  0.222341D+01
      3  -0.492261D+00  0.577082D+01  0.557855D+00 -0.129530D+02  0.655743D+00
      4  -0.606813D+01 -0.385612D+01  0.291472D-01  0.140919D+01  0.233197D+01
      5   0.369023D+01 -0.193930D+01 -0.125132D+01 -0.284552D+01 -0.134276D+01
      6  -0.290861D+01  0.758611D+00 -0.256430D+01 -0.402293D+01 -0.784576D+00
               131           132           133           134           135 
      1  -0.187240D+01 -0.272119D+00  0.113379D+02 -0.921383D+00 -0.201881D+02
      2   0.149616D+01  0.182925D+01 -0.116602D+01  0.145806D+01 -0.867875D+01
      3   0.376242D+00 -0.155713D+01 -0.101718D+02 -0.536678D+00  0.288669D+02
      4   0.224899D+01  0.175309D+01  0.264763D+01  0.270828D+01 -0.287197D+01
      5   0.132919D+01 -0.154804D+01  0.267834D+01  0.344915D-01  0.109691D+02
      6   0.803214D+00  0.370400D+01 -0.167739D+01  0.477039D+01  0.649895D+01
               136           137           138           139           140 
      1   0.497680D+02 -0.131663D+02  0.957745D+01 -0.219018D+02  0.981964D+01
      2  -0.291406D+02  0.874386D+01 -0.790973D+01  0.129712D+02 -0.312011D+01
      3  -0.206274D+02  0.442248D+01 -0.166772D+01  0.893053D+01 -0.669953D+01
      4  -0.825683D+01  0.117596D+02 -0.176756D+01  0.119056D+02 -0.805146D+01
      5   0.196452D+02 -0.519549D+01  0.121111D+02 -0.984623D+01  0.471798D+01
      6  -0.331674D+01  0.429610D+01 -0.110153D+01  0.406765D+01 -0.315993D+01
               141           142           143           144           145 
      1  -0.419605D+01  0.651188D+01 -0.176795D+01  0.363106D+01  0.916949D+01
      2   0.450880D+01 -0.586078D+01  0.241829D+01 -0.551523D+01 -0.106175D+01
      3  -0.312755D+00 -0.651100D+00 -0.650344D+00  0.188417D+01 -0.810774D+01
      4   0.269296D+01 -0.126684D+01  0.858895D+00 -0.324279D+01  0.105149D+02
      5  -0.759763D+01  0.104255D+02 -0.444917D+01  0.608950D+01  0.364396D+01
      6   0.183276D+01 -0.163611D+01  0.215705D+01 -0.475500D+00  0.156861D+01
               146           147           148           149           150 
      1   0.443854D+01  0.164556D+01  0.717571D+01 -0.265620D+01 -0.125852D+01
      2   0.261298D+01 -0.457522D+00  0.420839D+01  0.252966D+02  0.229980D+00
      3  -0.705152D+01 -0.118804D+01 -0.113841D+02 -0.226405D+02  0.102854D+01
      4   0.156824D+02  0.912129D+00  0.219993D+02  0.400113D+02  0.425075D+01
      5   0.159044D+01  0.266834D+01  0.441938D+01  0.477068D+01  0.687628D+01
      6   0.347270D+01  0.124139D+01  0.508786D+01  0.124296D+02  0.732221D+01
               151           152           153 
      1  -0.513810D+00 -0.947906D+00 -0.285349D+01
      2   0.817918D-01 -0.156576D+01  0.188490D+01
      3   0.432018D+00  0.251366D+01  0.968595D+00
      4  -0.994286D+00 -0.893172D+00  0.349670D+01
      5   0.237914D+01  0.425752D+01  0.346709D+00
      6   0.145152D+01  0.589167D+01  0.711259D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul  8 22:10:05 2021, MaxMem= 10737418240 cpu:           11071.7 elap:             692.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.26024 -10.38642 -10.31133 -10.30288 -10.30264
 Alpha  occ. eigenvalues --  -10.30126 -10.29364  -1.15114  -0.95508  -0.84890
 Alpha  occ. eigenvalues --   -0.81596  -0.76159  -0.66481  -0.62926  -0.58612
 Alpha  occ. eigenvalues --   -0.56505  -0.53506  -0.51296  -0.50337  -0.49127
 Alpha  occ. eigenvalues --   -0.48287  -0.46382  -0.43401  -0.42208  -0.41679
 Alpha  occ. eigenvalues --   -0.41289  -0.32579
 Alpha virt. eigenvalues --    0.03157   0.03959   0.04549   0.05082   0.05423
 Alpha virt. eigenvalues --    0.06695   0.06775   0.07034   0.07353   0.08431
 Alpha virt. eigenvalues --    0.10020   0.10636   0.11588   0.13401   0.13920
 Alpha virt. eigenvalues --    0.14089   0.14468   0.14663   0.15082   0.15294
 Alpha virt. eigenvalues --    0.15813   0.16755   0.17012   0.17063   0.18215
 Alpha virt. eigenvalues --    0.18652   0.19267   0.19384   0.20114   0.20664
 Alpha virt. eigenvalues --    0.20936   0.21990   0.23289   0.23595   0.23755
 Alpha virt. eigenvalues --    0.25698   0.26316   0.27585   0.28676   0.29046
 Alpha virt. eigenvalues --    0.30530   0.31765   0.32690   0.33088   0.33504
 Alpha virt. eigenvalues --    0.34216   0.34697   0.35200   0.36429   0.37456
 Alpha virt. eigenvalues --    0.37905   0.39130   0.39527   0.40596   0.41364
 Alpha virt. eigenvalues --    0.41501   0.41880   0.42881   0.43177   0.43603
 Alpha virt. eigenvalues --    0.45058   0.45463   0.45798   0.47012   0.48086
 Alpha virt. eigenvalues --    0.48548   0.49668   0.50609   0.51566   0.52256
 Alpha virt. eigenvalues --    0.53315   0.54220   0.54813   0.56074   0.56919
 Alpha virt. eigenvalues --    0.57496   0.58600   0.59484   0.60030   0.60914
 Alpha virt. eigenvalues --    0.61861   0.62919   0.64244   0.65134   0.65811
 Alpha virt. eigenvalues --    0.65999   0.66763   0.67699   0.69520   0.70534
 Alpha virt. eigenvalues --    0.71293   0.72326   0.72589   0.73740   0.74252
 Alpha virt. eigenvalues --    0.75635   0.75766   0.76051   0.77682   0.78122
 Alpha virt. eigenvalues --    0.78447   0.80128   0.81203   0.81852   0.83454
 Alpha virt. eigenvalues --    0.83753   0.84987   0.85283   0.86130   0.88211
 Alpha virt. eigenvalues --    0.89753   0.90602   0.92805   0.94739   0.96611
 Alpha virt. eigenvalues --    0.97518   0.98502   1.01123   1.02184   1.04127
 Alpha virt. eigenvalues --    1.05538   1.07277   1.09152   1.11410   1.12613
 Alpha virt. eigenvalues --    1.15233   1.15752   1.19716   1.22073   1.22751
 Alpha virt. eigenvalues --    1.23746   1.24378   1.26236   1.28878   1.29277
 Alpha virt. eigenvalues --    1.29445   1.31159   1.36101   1.38071   1.42992
 Alpha virt. eigenvalues --    1.44099   1.46648   1.49069   1.51908   1.54630
 Alpha virt. eigenvalues --    1.55414   1.57038   1.59785   1.63498   1.65658
 Alpha virt. eigenvalues --    1.65911   1.67664   1.69150   1.72068   1.72365
 Alpha virt. eigenvalues --    1.75273   1.75733   1.76470   1.78618   1.80747
 Alpha virt. eigenvalues --    1.81531   1.84799   1.86113   1.86798   1.90589
 Alpha virt. eigenvalues --    1.91763   1.92439   1.94128   1.95464   1.97284
 Alpha virt. eigenvalues --    1.98721   1.99902   2.00672   2.04712   2.07350
 Alpha virt. eigenvalues --    2.08727   2.09937   2.11453   2.14398   2.15421
 Alpha virt. eigenvalues --    2.17167   2.20196   2.21522   2.22135   2.24498
 Alpha virt. eigenvalues --    2.26579   2.29650   2.31317   2.33424   2.36106
 Alpha virt. eigenvalues --    2.37693   2.38392   2.40509   2.43789   2.47359
 Alpha virt. eigenvalues --    2.50063   2.51451   2.51790   2.54027   2.59590
 Alpha virt. eigenvalues --    2.61868   2.63037   2.64659   2.66384   2.70088
 Alpha virt. eigenvalues --    2.72475   2.72894   2.77234   2.85628   2.88273
 Alpha virt. eigenvalues --    2.90996   2.92753   2.98466   3.06610   3.10818
 Alpha virt. eigenvalues --    3.19919   3.22369   3.42741   3.52459   3.53635
 Alpha virt. eigenvalues --    3.56839   3.67423   3.82489   3.96413
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.532753  -0.052606  -0.207954  -0.586936   0.271569  -0.032067
     2  C   -0.052606   6.194761  -0.045763  -0.368579  -0.074860   0.208084
     3  C   -0.207954  -0.045763   5.782508  -0.301731  -0.173618  -0.021173
     4  C   -0.586936  -0.368579  -0.301731   8.375458  -0.486999   0.019832
     5  C    0.271569  -0.074860  -0.173618  -0.486999   5.640964  -0.018906
     6  O   -0.032067   0.208084  -0.021173   0.019832  -0.018906   8.403514
     7  H   -0.016191   0.018795   0.002229   0.048068   0.056155  -0.002808
     8  H   -0.006492   0.021836   0.053880   0.006160   0.052108   0.007150
     9  H    0.044454  -0.173430   0.117063   0.410430  -0.132516   0.024672
    10  H    0.088023   0.144009  -0.168094  -0.387821   0.094536  -0.013990
    11  H    0.091769   0.027381   0.274346  -1.214999   0.220848   0.001011
    12  C    0.087367  -0.002522  -0.101589   0.262391  -0.131258  -0.002799
    13  H   -0.046413   0.054925  -0.118641   0.336552  -0.166757  -0.009680
    14  H    0.290502  -0.058284   0.131614  -0.248928  -0.243555   0.007109
    15  H    0.025404  -0.081715  -0.089945   0.188848  -0.139249   0.007971
    16  H    0.053016  -0.007433  -0.038875  -0.004369   0.033099  -0.000527
    17  H   -0.043887   0.084871   0.055664  -0.000224   0.005166  -0.004996
               7          8          9         10         11         12
     1  C   -0.016191  -0.006492   0.044454   0.088023   0.091769   0.087367
     2  C    0.018795   0.021836  -0.173430   0.144009   0.027381  -0.002522
     3  C    0.002229   0.053880   0.117063  -0.168094   0.274346  -0.101589
     4  C    0.048068   0.006160   0.410430  -0.387821  -1.214999   0.262391
     5  C    0.056155   0.052108  -0.132516   0.094536   0.220848  -0.131258
     6  O   -0.002808   0.007150   0.024672  -0.013990   0.001011  -0.002799
     7  H    1.546194  -0.325663  -0.002993  -0.000339  -0.011721   0.012813
     8  H   -0.325663   1.567269  -0.007959   0.007836   0.023621  -0.020651
     9  H   -0.002993  -0.007959   1.447940  -0.365066  -0.160262  -0.011900
    10  H   -0.000339   0.007836  -0.365066   1.891385   0.033336   0.015326
    11  H   -0.011721   0.023621  -0.160262   0.033336   2.327227   0.043146
    12  C    0.012813  -0.020651  -0.011900   0.015326   0.043146   4.442602
    13  H    0.127620  -0.188963   0.005638   0.013934  -0.168271   0.025599
    14  H   -0.229767   0.051171   0.016418  -0.001335   0.034335  -0.020036
    15  H    0.003101   0.002885   0.001601  -0.038135   0.094906   0.247562
    16  H    0.004337   0.000504  -0.009033   0.030836  -0.062279   0.219820
    17  H   -0.001666  -0.001699   0.020182  -0.033005  -0.062829   0.199991
              13         14         15         16         17
     1  C   -0.046413   0.290502   0.025404   0.053016  -0.043887
     2  C    0.054925  -0.058284  -0.081715  -0.007433   0.084871
     3  C   -0.118641   0.131614  -0.089945  -0.038875   0.055664
     4  C    0.336552  -0.248928   0.188848  -0.004369  -0.000224
     5  C   -0.166757  -0.243555  -0.139249   0.033099   0.005166
     6  O   -0.009680   0.007109   0.007971  -0.000527  -0.004996
     7  H    0.127620  -0.229767   0.003101   0.004337  -0.001666
     8  H   -0.188963   0.051171   0.002885   0.000504  -0.001699
     9  H    0.005638   0.016418   0.001601  -0.009033   0.020182
    10  H    0.013934  -0.001335  -0.038135   0.030836  -0.033005
    11  H   -0.168271   0.034335   0.094906  -0.062279  -0.062829
    12  C    0.025599  -0.020036   0.247562   0.219820   0.199991
    13  H    2.033778  -0.537489  -0.007323   0.028187  -0.006183
    14  H   -0.537489   2.192259  -0.030946  -0.031341   0.022875
    15  H   -0.007323  -0.030946   1.598722  -0.331250  -0.318263
    16  H    0.028187  -0.031341  -0.331250   1.701870  -0.368069
    17  H   -0.006183   0.022875  -0.318263  -0.368069   1.655051
 Mulliken charges:
               1
     1  C    0.507688
     2  C    0.110529
     3  C    0.850079
     4  C   -0.047151
     5  C    1.193273
     6  O   -0.572399
     7  H   -0.228161
     8  H   -0.242993
     9  H   -0.225238
    10  H   -0.311437
    11  H   -0.491565
    12  C    0.734137
    13  H   -0.376514
    14  H   -0.344602
    15  H   -0.134172
    16  H   -0.218496
    17  H   -0.202978
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.036534
     2  C    0.110529
     3  C    0.313404
     4  C   -0.538716
     5  C    0.472157
     6  O   -0.572399
    12  C    0.178491
 Electronic spatial extent (au):  <R**2>=            752.8998
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.0837    Y=              1.0163    Z=              0.8154  Tot=              3.3477
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -52.1698   YY=            -42.5225   ZZ=            -42.1048
   XY=              2.9939   XZ=              1.8034   YZ=             -0.6718
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.5708   YY=              3.0766   ZZ=              3.4942
   XY=              2.9939   XZ=              1.8034   YZ=             -0.6718
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -19.3117  YYY=             -1.9503  ZZZ=              0.9434  XYY=              1.1143
  XXY=              7.4238  XXZ=              4.7464  XZZ=              2.8610  YZZ=              0.1842
  YYZ=             -0.0221  XYZ=             -0.2550
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -611.2616 YYYY=           -281.7665 ZZZZ=           -152.6366 XXXY=             10.8774
 XXXZ=              8.6741 YYYX=              3.0246 YYYZ=              1.1057 ZZZX=             -3.9336
 ZZZY=             -1.6535 XXYY=           -141.0707 XXZZ=           -120.9200 YYZZ=            -74.7942
 XXYZ=             -2.5284 YYXZ=              0.8893 ZZXY=             -1.9551
 N-N= 3.097930571877D+02 E-N=-1.340008666766D+03  KE= 3.078586265459D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul  8 22:10:06 2021, MaxMem= 10737418240 cpu:               7.2 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.16023980D+00 3.83638416D-01 3.11601665D-01
 Polarizability= 7.65775188D+01-6.64074882D-01 7.04326567D+01
                -1.24347565D+00-1.39431419D+00 6.23398858D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.8034    0.8038       -0.5145   -0.5147
 2     -0.8034   -0.8038        0.8020    0.8022       -3.4996   -3.4976
 3      0.5145    0.5147        7.8687    7.8667       -0.8019   -0.8022
 4     -0.8020   -0.8022        0.0000    0.0000        0.5141    0.5147
 5     -4.3691   -4.3690       -0.5141   -0.5147        0.8040    0.8038
 6      0.8019    0.8022       -0.8040   -0.8038        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -2.4113   -2.4113       -1.5440   -1.5440
 2     -2.4066   -2.4066       -0.0000    0.0000       -1.5440   -1.5440
 3     -2.4066   -2.4066       -2.4113   -2.4113        0.0000    0.0000
 4     -2.4113   -2.4113        2.4066    2.4066      -10.4929  -10.4929
 5      1.5440    1.5440       23.6000   23.6000       -2.4066   -2.4066
 6    -13.1071  -13.1071       -1.5440   -1.5440        2.4113    2.4113
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0289    0.0000       -2.9121   -3.2150        2.4265    2.0587
 2      3.0146    3.2150       -3.3224   -3.2088       14.1060   13.9906
 3     -2.2234   -2.0587      -31.5736  -31.4667        3.1500    3.2088
 4      3.1358    3.2088        0.1568    0.0000       -1.6891   -2.0587
 5     17.3945   17.4761        2.1072    2.0587       -3.4278   -3.2150
 6     -3.3099   -3.2088        3.3871    3.2150        0.0519    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.3340    0.0000        4.1359    3.7580        9.1727    9.0569
 2     -3.4739   -3.7580       -4.8172   -4.1573       12.3111   12.4482
 3     -9.3693   -9.0569       -0.5327   -0.5427        4.2470    4.1573
 4      4.1198    4.1573        0.0330    0.0000       -9.1365   -9.0569
 5    -12.0671  -11.9055        9.2002    9.0569        3.7158    3.7580
 6     -4.0739   -4.1573       -3.6854   -3.7580       -0.0803    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      1.7015    1.5974       14.2745   14.3814      -24.3530  -24.1432
 2     10.1000   10.0636       18.7900   18.9225      -24.2715  -24.1432
 3     10.1835   10.0636       14.1298   14.3814      -35.1762  -34.9682
 4     -4.6238   -4.5411       -8.2067   -8.4662       21.2130   21.2164
 5    -10.9831  -10.8250        7.4063    7.5144        8.5222    8.4662
 6    -28.7851  -28.7309       10.6389   10.8250        4.8800    4.5411
 Full mass-weighted force constant matrix:
 Low frequencies ---  -10.9892   -0.0007    0.0003    0.0005    3.4494    4.9981
 Low frequencies ---   73.8145  173.4091  235.9158
 Diagonal vibrational polarizability:
        6.1916488       7.5430927      17.3727184
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --     73.8086               173.4075               235.9153
 Red. masses --      3.3753                 2.0610                 1.0418
 Frc consts  --      0.0108                 0.0365                 0.0342
 IR Inten    --      4.6450                 0.6364                 0.1012
 RamAct Fr= 1--      1.1237                 0.6640                 0.0527
  Dep-P Fr= 1--      0.7416                 0.6406                 0.7078
  Dep-U Fr= 1--      0.8516                 0.7810                 0.8289
 Alpha2 Fr= 1--      0.0002                 0.0013                 0.0000
 Beta2  Fr= 1--      0.1595                 0.0864                 0.0073
 AlphaG Fr= 1--      0.0003                -0.0020                 0.0005
 Gamma2 Fr= 1--      0.1529                -0.0234                -0.0122
 Delta2 Fr= 1--     -0.1263                 0.0636                 0.0059
 Raman1 Fr= 1--       4.495                  2.656                  0.211
 ROA1   Fr= 1--      10.636                 -0.208                 -0.981
 CID1   Fr= 1--       2.366                 -0.078                 -4.653
 Raman2 Fr= 1--       1.914                  1.037                  0.087
 ROA2   Fr= 1--       4.679                 -1.069                 -0.339
 CID2   Fr= 1--       2.445                 -1.031                 -3.882
 Raman3 Fr= 1--       3.828                  2.074                  0.175
 ROA3   Fr= 1--      10.636                 -0.208                 -0.981
 CID3   Fr= 1--       2.778                 -0.101                 -5.614
 RC180  Fr= 1--       0.703                  0.562                  0.658
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.06  -0.13     0.12   0.07   0.14    -0.01  -0.02  -0.02
     2   6     0.04   0.00  -0.02     0.04   0.01   0.02     0.00  -0.01   0.00
     3   6    -0.01  -0.08  -0.17     0.00  -0.00  -0.07     0.01   0.01   0.02
     4   6     0.01  -0.01  -0.00     0.00   0.00  -0.03     0.00  -0.00   0.00
     5   6     0.05  -0.03  -0.01    -0.03   0.02  -0.12    -0.00  -0.00  -0.01
     6   8     0.14   0.10   0.22     0.02  -0.02  -0.02    -0.00  -0.02   0.01
     7   1    -0.16  -0.22  -0.13     0.38   0.27   0.12    -0.01  -0.04  -0.02
     8   1    -0.03   0.01  -0.32     0.08  -0.00   0.43    -0.01  -0.01  -0.04
     9   1     0.01  -0.33  -0.18    -0.01  -0.08  -0.06    -0.00   0.06   0.03
    10   1    -0.05  -0.02  -0.38    -0.00   0.02  -0.13     0.02  -0.00   0.07
    11   1     0.11  -0.01   0.08     0.07   0.05   0.03     0.00  -0.02  -0.00
    12   6    -0.19   0.07   0.08    -0.13  -0.08   0.08     0.00   0.03  -0.01
    13   1     0.16  -0.05  -0.02    -0.27   0.16  -0.14    -0.00   0.02  -0.02
    14   1     0.02   0.01   0.08     0.02  -0.08  -0.34    -0.01  -0.01  -0.02
    15   1    -0.31   0.07  -0.00    -0.26  -0.05  -0.01    -0.19   0.58  -0.08
    16   1    -0.19   0.12   0.23    -0.20  -0.16   0.19    -0.29  -0.32   0.31
    17   1    -0.24   0.08   0.09    -0.04  -0.10   0.15     0.48  -0.12  -0.27
                      4                      5                      6
                      A                      A                      A
 Frequencies --    350.5216               367.8091               460.1283
 Red. masses --      2.0769                 1.9011                 2.4824
 Frc consts  --      0.1503                 0.1515                 0.3097
 IR Inten    --      0.8386                 0.6952                 2.8322
 RamAct Fr= 1--      0.7114                 0.9033                 0.7062
  Dep-P Fr= 1--      0.6293                 0.1834                 0.7435
  Dep-U Fr= 1--      0.7725                 0.3099                 0.8529
 Alpha2 Fr= 1--      0.0016                 0.0128                 0.0001
 Beta2  Fr= 1--      0.0916                 0.0467                 0.1004
 AlphaG Fr= 1--     -0.0081                 0.0107                -0.0007
 Gamma2 Fr= 1--     -0.1803                -0.0104                 1.4503
 Delta2 Fr= 1--     -0.0905                 0.0434                 0.1149
 Raman1 Fr= 1--       2.846                  3.613                  2.825
 ROA1   Fr= 1--     -20.210                  0.391                142.905
 CID1   Fr= 1--      -7.102                  0.108                 50.592
 Raman2 Fr= 1--       1.099                  0.560                  1.205
 ROA2   Fr= 1--      -3.604                 -0.597                 33.889
 CID2   Fr= 1--      -3.279                 -1.066                 28.133
 Raman3 Fr= 1--       2.198                  1.120                  2.409
 ROA3   Fr= 1--     -20.210                  0.391                142.905
 CID3   Fr= 1--      -9.194                  0.349                 59.317
 RC180  Fr= 1--       0.545                 -0.380                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.06   0.01    -0.04  -0.03  -0.01     0.03  -0.08   0.04
     2   6     0.06  -0.01   0.04    -0.03  -0.03   0.01     0.07   0.03   0.24
     3   6     0.08   0.01   0.12    -0.00  -0.09  -0.03    -0.04  -0.06   0.06
     4   6     0.01  -0.09  -0.02     0.03  -0.00   0.13    -0.01   0.05  -0.05
     5   6    -0.06  -0.09  -0.07    -0.08   0.02  -0.10     0.05   0.04  -0.01
     6   8     0.05   0.03  -0.05    -0.02   0.02  -0.01    -0.02   0.09  -0.15
     7   1     0.05  -0.08   0.00     0.06  -0.02  -0.02    -0.07  -0.56   0.02
     8   1    -0.07  -0.01   0.04    -0.04  -0.05   0.05    -0.01   0.09  -0.36
     9   1    -0.00   0.30   0.15     0.09  -0.40  -0.06    -0.27  -0.42   0.12
    10   1     0.20  -0.08   0.38    -0.11  -0.00  -0.30    -0.06   0.04  -0.27
    11   1     0.01  -0.11  -0.02     0.03   0.00   0.13    -0.05   0.10  -0.07
    12   6    -0.10   0.15  -0.04     0.13   0.10   0.06    -0.03  -0.03  -0.03
    13   1    -0.16   0.02  -0.09    -0.23   0.34  -0.20     0.03   0.02  -0.00
    14   1    -0.07  -0.19  -0.18    -0.12  -0.22  -0.36     0.11   0.09  -0.04
    15   1    -0.14   0.13  -0.07     0.26   0.18   0.17    -0.08  -0.05  -0.07
    16   1     0.05   0.42   0.11     0.19   0.16  -0.01    -0.08  -0.10  -0.02
    17   1    -0.39   0.22  -0.19     0.10   0.10  -0.10     0.04  -0.04   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    476.2593               584.2538               671.7618
 Red. masses --      3.3336                 3.3245                 2.5949
 Frc consts  --      0.4455                 0.6686                 0.6899
 IR Inten    --      5.2865                 4.3026                 3.0134
 RamAct Fr= 1--      1.5900                 3.2647                 2.3667
  Dep-P Fr= 1--      0.7499                 0.2225                 0.1070
  Dep-U Fr= 1--      0.8571                 0.3640                 0.1934
 Alpha2 Fr= 1--      0.0000                 0.0417                 0.0407
 Beta2  Fr= 1--      0.2271                 0.1981                 0.0763
 AlphaG Fr= 1--     -0.0002                -0.1366                -0.0522
 Gamma2 Fr= 1--     -1.5205                -0.7801                 0.4417
 Delta2 Fr= 1--      0.0255                 0.1070                 0.0634
 Raman1 Fr= 1--       6.360                 13.059                  9.467
 ROA1   Fr= 1--    -145.147                -71.466                 44.432
 CID1   Fr= 1--     -22.822                 -5.473                  4.693
 Raman2 Fr= 1--       2.726                  2.377                  0.915
 ROA2   Fr= 1--     -36.695                -19.579                 10.094
 CID2   Fr= 1--     -13.464                 -8.237                 11.028
 Raman3 Fr= 1--       5.451                  4.754                  1.831
 ROA3   Fr= 1--    -145.147                -71.466                 44.432
 CID3   Fr= 1--     -26.627                -15.034                 24.272
 RC180  Fr= 1--       0.714                 -0.272                 -0.613
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.15   0.03    -0.08  -0.08   0.13    -0.03  -0.03   0.09
     2   6    -0.09  -0.16  -0.12     0.15  -0.10  -0.07    -0.14  -0.07  -0.02
     3   6    -0.13  -0.08   0.06    -0.02   0.07  -0.09     0.09  -0.08  -0.04
     4   6    -0.07   0.06   0.02    -0.08   0.11   0.01     0.20   0.01  -0.12
     5   6     0.08   0.01  -0.01    -0.16   0.10   0.10     0.01   0.14   0.04
     6   8     0.08   0.25  -0.03     0.20  -0.08  -0.04    -0.10   0.04   0.05
     7   1     0.20   0.17   0.03    -0.37  -0.30   0.14    -0.27  -0.20   0.10
     8   1     0.24  -0.41   0.30    -0.11   0.07  -0.25     0.18  -0.12  -0.22
     9   1    -0.02   0.20   0.04     0.04   0.26  -0.10     0.14   0.20  -0.04
    10   1    -0.31  -0.17   0.37    -0.20  -0.01   0.16     0.10  -0.15   0.19
    11   1    -0.12   0.15   0.00    -0.04  -0.06   0.02     0.17  -0.09  -0.16
    12   6     0.01  -0.02   0.01    -0.00  -0.00  -0.01     0.02  -0.00  -0.02
    13   1     0.11  -0.00  -0.01    -0.37   0.26   0.07    -0.25   0.27   0.03
    14   1     0.16   0.09  -0.02    -0.04   0.03  -0.19     0.02  -0.05  -0.21
    15   1     0.06   0.01   0.05     0.08  -0.08   0.04    -0.27  -0.15  -0.25
    16   1    -0.04  -0.11  -0.08    -0.04  -0.12  -0.17    -0.01   0.02   0.24
    17   1     0.11  -0.04   0.03     0.10  -0.02   0.11    -0.04   0.03   0.22
                     10                     11                     12
                      A                      A                      A
 Frequencies --    737.4651               795.4766               814.7672
 Red. masses --      2.2570                 2.7881                 2.3470
 Frc consts  --      0.7232                 1.0395                 0.9180
 IR Inten    --      2.5172                 2.9635                 1.4469
 RamAct Fr= 1--      4.4926                16.2961                 1.4110
  Dep-P Fr= 1--      0.0623                 0.0401                 0.6789
  Dep-U Fr= 1--      0.1174                 0.0770                 0.8088
 Alpha2 Fr= 1--      0.0862                 0.3296                 0.0018
 Beta2  Fr= 1--      0.0879                 0.2092                 0.1902
 AlphaG Fr= 1--      0.1096                 0.2446                -0.0138
 Gamma2 Fr= 1--      0.5506                 0.1339                 0.1220
 Delta2 Fr= 1--      0.4463                -0.1493                 0.0231
 Raman1 Fr= 1--      17.970                 65.184                  5.644
 ROA1   Fr= 1--      67.140                  8.076                 12.449
 CID1   Fr= 1--       3.736                  0.124                  2.206
 Raman2 Fr= 1--       1.054                  2.511                  2.282
 ROA2   Fr= 1--       9.644                  4.408                  2.743
 CID2   Fr= 1--       9.146                  1.756                  1.202
 Raman3 Fr= 1--       2.109                  5.022                  4.565
 ROA3   Fr= 1--      67.140                  8.076                 12.449
 CID3   Fr= 1--      31.836                  1.608                  2.727
 RC180  Fr= 1--      -0.765                 -0.846                  0.618
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.13   0.07  -0.08     0.08   0.12  -0.04     0.03   0.21   0.00
     2   6     0.05  -0.09  -0.01     0.00   0.01  -0.07     0.04  -0.01  -0.01
     3   6     0.02  -0.10   0.16     0.04  -0.11   0.11    -0.18  -0.14  -0.00
     4   6     0.08   0.07  -0.07    -0.08  -0.10   0.13     0.04  -0.04  -0.04
     5   6    -0.08   0.08   0.01     0.06   0.16   0.07     0.05  -0.06  -0.02
     6   8     0.09  -0.03  -0.01     0.02  -0.01   0.01     0.03  -0.00  -0.01
     7   1     0.04   0.46  -0.06    -0.21   0.09  -0.01    -0.22  -0.08   0.01
     8   1    -0.11  -0.07   0.30     0.25   0.05  -0.27    -0.11   0.44  -0.29
     9   1    -0.10  -0.42   0.18     0.19  -0.20   0.07    -0.24   0.25   0.02
    10   1    -0.17  -0.01  -0.12     0.10  -0.08  -0.01    -0.28  -0.26   0.37
    11   1    -0.04   0.09  -0.16    -0.11  -0.06   0.12    -0.01   0.11  -0.05
    12   6     0.00   0.01  -0.03    -0.12  -0.08  -0.14     0.06   0.02   0.07
    13   1     0.08  -0.06   0.04    -0.13   0.43  -0.01    -0.12  -0.04  -0.01
    14   1    -0.20   0.11   0.23     0.09  -0.01  -0.21    -0.06  -0.22  -0.06
    15   1    -0.22  -0.10  -0.20     0.05   0.06   0.01     0.01   0.02   0.04
    16   1    -0.05  -0.01   0.14    -0.06  -0.02  -0.24     0.05   0.04   0.14
    17   1    -0.02   0.02   0.17    -0.15  -0.09  -0.41     0.05   0.03   0.08
                     13                     14                     15
                      A                      A                      A
 Frequencies --    886.6733               935.6361               964.9773
 Red. masses --      1.7807                 2.0418                 1.4120
 Frc consts  --      0.8248                 1.0531                 0.7747
 IR Inten    --      4.8935                 1.8505                 0.5300
 RamAct Fr= 1--      2.5668                 3.7700                 0.7017
  Dep-P Fr= 1--      0.1653                 0.5445                 0.3643
  Dep-U Fr= 1--      0.2837                 0.7051                 0.5340
 Alpha2 Fr= 1--      0.0382                 0.0149                 0.0059
 Beta2  Fr= 1--      0.1214                 0.4430                 0.0625
 AlphaG Fr= 1--     -0.0742                 0.0411                 0.0441
 Gamma2 Fr= 1--      0.2110                -0.2384                 0.1699
 Delta2 Fr= 1--      0.4202                -1.1281                -0.7118
 Raman1 Fr= 1--      10.267                 15.080                  2.807
 ROA1   Fr= 1--      33.701                -58.986                 -6.465
 CID1   Fr= 1--       3.282                 -3.912                 -2.303
 Raman2 Fr= 1--       1.456                  5.316                  0.749
 ROA2   Fr= 1--       1.701                  3.304                  9.772
 CID2   Fr= 1--       1.168                  0.621                 13.039
 Raman3 Fr= 1--       2.913                 10.632                  1.499
 ROA3   Fr= 1--      33.701                -58.986                 -6.465
 CID3   Fr= 1--      11.571                 -5.548                 -4.313
 RC180  Fr= 1--      -0.433                  0.410                  0.068
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.03  -0.01    -0.10   0.02   0.08    -0.01   0.01   0.10
     2   6     0.01  -0.05   0.10    -0.01   0.02  -0.03    -0.02  -0.03  -0.07
     3   6     0.06  -0.12  -0.09     0.11  -0.09   0.02     0.01   0.03   0.04
     4   6    -0.03  -0.02  -0.00    -0.03   0.13   0.02     0.00  -0.00  -0.01
     5   6    -0.05   0.14  -0.07     0.10  -0.12  -0.06    -0.01   0.02  -0.10
     6   8    -0.01  -0.00  -0.01    -0.02  -0.01   0.02     0.01  -0.00   0.01
     7   1     0.30  -0.12  -0.06    -0.19   0.03   0.09    -0.12  -0.19   0.10
     8   1    -0.10   0.05   0.10    -0.31   0.21   0.07    -0.06   0.14  -0.13
     9   1     0.02   0.30  -0.07     0.30  -0.00  -0.03     0.33  -0.14  -0.04
    10   1     0.21  -0.24   0.29     0.18  -0.11   0.06    -0.24   0.08  -0.08
    11   1     0.14  -0.04   0.13    -0.04   0.44   0.05    -0.03   0.23  -0.00
    12   6    -0.02  -0.00   0.04    -0.07   0.05  -0.05     0.02  -0.07   0.02
    13   1     0.30  -0.11  -0.02     0.03  -0.05  -0.07     0.04  -0.36   0.04
    14   1    -0.12   0.35   0.31     0.17  -0.10  -0.14     0.13   0.33   0.11
    15   1     0.20   0.09   0.21     0.09  -0.08   0.05    -0.03   0.18   0.01
    16   1     0.02  -0.01  -0.17    -0.18  -0.22  -0.39     0.17   0.22   0.25
    17   1     0.04  -0.03  -0.14     0.21  -0.01   0.14    -0.23  -0.02  -0.34
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1001.0028              1009.1492              1041.5521
 Red. masses --      2.0132                 1.5815                 1.4190
 Frc consts  --      1.1885                 0.9489                 0.9070
 IR Inten    --      0.5174                 1.6717                 7.6697
 RamAct Fr= 1--      4.2372                 4.7815                 1.8973
  Dep-P Fr= 1--      0.3161                 0.6940                 0.3099
  Dep-U Fr= 1--      0.4804                 0.8193                 0.4732
 Alpha2 Fr= 1--      0.0414                 0.0047                 0.0189
 Beta2  Fr= 1--      0.3392                 0.6529                 0.1496
 AlphaG Fr= 1--     -0.0940                -0.0602                -0.0187
 Gamma2 Fr= 1--      0.6183                -0.6740                -0.2571
 Delta2 Fr= 1--      0.8226                -1.6717                 0.0367
 Raman1 Fr= 1--      16.949                 19.126                  7.589
 ROA1   Fr= 1--      85.681               -118.193                -23.505
 CID1   Fr= 1--       5.055                 -6.180                 -3.097
 Raman2 Fr= 1--       4.071                  7.835                  1.795
 ROA2   Fr= 1--       8.259                 -2.802                 -6.464
 CID2   Fr= 1--       2.029                 -0.358                 -3.600
 Raman3 Fr= 1--       8.142                 15.671                  3.591
 ROA3   Fr= 1--      85.681               -118.193                -23.505
 CID3   Fr= 1--      10.524                 -7.542                 -6.546
 RC180  Fr= 1--      -0.039                  0.639                 -0.054
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.18   0.04  -0.03    -0.00  -0.01  -0.00     0.03   0.03  -0.01
     2   6    -0.03  -0.00  -0.05    -0.00   0.02  -0.04    -0.02  -0.07   0.02
     3   6     0.07  -0.06   0.05     0.04  -0.04   0.04     0.01   0.05   0.01
     4   6    -0.07   0.06  -0.00    -0.10  -0.04  -0.12     0.11   0.05  -0.03
     5   6    -0.17  -0.05   0.02     0.00   0.03  -0.01    -0.04  -0.04   0.01
     6   8    -0.01   0.01   0.01     0.01  -0.01   0.00    -0.01   0.01  -0.00
     7   1     0.21  -0.30  -0.06    -0.33   0.23   0.06    -0.11   0.04   0.01
     8   1     0.29   0.03  -0.27     0.21  -0.17  -0.09     0.24  -0.13  -0.11
     9   1     0.35  -0.09  -0.03    -0.31  -0.08   0.12    -0.20  -0.05   0.06
    10   1     0.04  -0.04  -0.01     0.44   0.00  -0.11    -0.15   0.06  -0.03
    11   1    -0.24   0.06  -0.14    -0.08   0.05  -0.10     0.42   0.17   0.23
    12   6     0.02   0.07   0.00     0.03   0.04   0.13    -0.09  -0.02   0.01
    13   1    -0.15  -0.26   0.10    -0.26  -0.18   0.10    -0.21  -0.19   0.09
    14   1    -0.29  -0.02   0.23     0.25   0.22  -0.15    -0.22  -0.18   0.10
    15   1    -0.07  -0.11  -0.08     0.18   0.09   0.24     0.25   0.12   0.26
    16   1    -0.09  -0.11  -0.03     0.05   0.03  -0.01    -0.01  -0.01  -0.35
    17   1     0.13   0.05   0.30     0.09   0.01   0.04     0.05  -0.08  -0.29
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1125.4793              1158.7767              1177.7807
 Red. masses --      1.4776                 4.1228                 1.3714
 Frc consts  --      1.1028                 3.2617                 1.1209
 IR Inten    --      1.1767                68.8361                 2.7027
 RamAct Fr= 1--      2.7117                 1.4283                 2.4162
  Dep-P Fr= 1--      0.6474                 0.7478                 0.6422
  Dep-U Fr= 1--      0.7859                 0.8557                 0.7821
 Alpha2 Fr= 1--      0.0050                 0.0001                 0.0047
 Beta2  Fr= 1--      0.3552                 0.2037                 0.3150
 AlphaG Fr= 1--      0.0188                 0.0021                 0.0339
 Gamma2 Fr= 1--      0.4877                 0.1936                -0.5169
 Delta2 Fr= 1--     -0.1811                 0.0214                -1.2799
 Raman1 Fr= 1--      10.847                  5.713                  9.665
 ROA1   Fr= 1--      41.027                 19.268                -90.585
 CID1   Fr= 1--       3.782                  3.373                 -9.373
 Raman2 Fr= 1--       4.262                  2.444                  3.780
 ROA2   Fr= 1--      13.155                  4.474                 -2.167
 CID2   Fr= 1--       3.086                  1.830                 -0.573
 Raman3 Fr= 1--       8.525                  4.889                  7.559
 ROA3   Fr= 1--      41.027                 19.268                -90.585
 CID3   Fr= 1--       4.813                  3.941                -11.983
 RC180  Fr= 1--       0.572                  0.711                  0.564
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.06    -0.02  -0.17   0.06    -0.04   0.03   0.09
     2   6     0.02   0.01   0.08     0.08   0.37  -0.19    -0.03  -0.06  -0.06
     3   6    -0.00  -0.04  -0.07    -0.08  -0.15   0.06    -0.05   0.05   0.01
     4   6    -0.04   0.09   0.00     0.13   0.00  -0.01    -0.00  -0.05   0.01
     5   6     0.01  -0.02   0.07    -0.08   0.05   0.04     0.04   0.04  -0.04
     6   8    -0.00  -0.00  -0.01    -0.01  -0.06   0.03     0.04  -0.00   0.00
     7   1    -0.01   0.15  -0.05     0.34  -0.25   0.00     0.08  -0.24   0.05
     8   1     0.12  -0.18   0.06     0.06  -0.24   0.06     0.10  -0.05  -0.07
     9   1     0.16   0.15  -0.10    -0.32   0.05   0.12    -0.19  -0.01   0.04
    10   1     0.23  -0.08   0.06    -0.09  -0.17   0.14     0.53   0.11  -0.21
    11   1    -0.23   0.54  -0.08     0.09   0.45   0.03    -0.12   0.28  -0.03
    12   6     0.04  -0.09   0.00    -0.04  -0.02  -0.00     0.01   0.01  -0.01
    13   1    -0.20   0.04   0.07     0.10   0.06   0.01     0.24   0.10  -0.10
    14   1    -0.14  -0.25  -0.01    -0.09   0.07   0.08    -0.43  -0.30   0.23
    15   1    -0.08   0.16  -0.05     0.06   0.04   0.07    -0.02  -0.03  -0.02
    16   1     0.16   0.19   0.27     0.01   0.01  -0.12    -0.02  -0.02   0.01
    17   1    -0.23  -0.02  -0.25     0.01  -0.04  -0.17     0.02   0.01   0.05
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1207.7679              1232.0784              1271.6531
 Red. masses --      1.5472                 1.5780                 1.5963
 Frc consts  --      1.3297                 1.4114                 1.5209
 IR Inten    --      0.2948                 1.2052                 2.3007
 RamAct Fr= 1--      1.5261                 2.2805                 1.8756
  Dep-P Fr= 1--      0.4856                 0.6219                 0.7414
  Dep-U Fr= 1--      0.6537                 0.7669                 0.8515
 Alpha2 Fr= 1--      0.0080                 0.0053                 0.0003
 Beta2  Fr= 1--      0.1663                 0.2915                 0.2662
 AlphaG Fr= 1--     -0.0027                 0.0200                -0.0050
 Gamma2 Fr= 1--      1.3509                 0.9278                -1.6598
 Delta2 Fr= 1--      0.5772                 0.2384                -0.4159
 Raman1 Fr= 1--       6.105                  9.122                  7.502
 ROA1   Fr= 1--     148.161                 96.694               -172.651
 CID1   Fr= 1--      24.270                 10.600                -23.013
 Raman2 Fr= 1--       1.995                  3.498                  3.194
 ROA2   Fr= 1--      27.805                 20.359                -36.509
 CID2   Fr= 1--      13.935                  5.820                -11.430
 Raman3 Fr= 1--       3.991                  6.996                  6.388
 ROA3   Fr= 1--     148.161                 96.694               -172.651
 CID3   Fr= 1--      37.127                 13.822                -27.027
 RC180  Fr= 1--       0.307                  0.534                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.01   0.02    -0.08   0.01  -0.01    -0.07   0.08   0.04
     2   6     0.04   0.05   0.07     0.03   0.02   0.04    -0.00   0.02  -0.02
     3   6    -0.04  -0.00  -0.04    -0.04   0.03   0.03     0.16  -0.00  -0.03
     4   6     0.01  -0.06   0.11     0.01  -0.11  -0.11    -0.08   0.04  -0.02
     5   6    -0.00   0.00  -0.11     0.07   0.04   0.03     0.03  -0.05  -0.01
     6   8     0.01  -0.02  -0.01     0.01  -0.01  -0.01    -0.01  -0.01   0.01
     7   1    -0.37   0.23   0.08     0.20  -0.11  -0.05     0.09  -0.19   0.01
     8   1     0.49  -0.43  -0.10     0.13  -0.20   0.05     0.35  -0.27  -0.07
     9   1     0.10   0.08  -0.07     0.64  -0.02  -0.15    -0.40  -0.07   0.11
    10   1    -0.09  -0.04   0.10    -0.31   0.05  -0.01    -0.50  -0.05   0.14
    11   1     0.04   0.10   0.15    -0.20   0.05  -0.26    -0.17  -0.14  -0.11
    12   6     0.02   0.05  -0.06    -0.05   0.04   0.06     0.02  -0.02   0.02
    13   1    -0.02  -0.28   0.01    -0.07   0.04   0.04     0.26   0.21  -0.15
    14   1    -0.03   0.12   0.09    -0.09  -0.19  -0.03    -0.06  -0.14   0.01
    15   1    -0.11  -0.16  -0.18     0.19   0.00   0.23    -0.01   0.08   0.02
    16   1    -0.10  -0.12   0.02    -0.04  -0.04  -0.16     0.05   0.04   0.06
    17   1     0.05   0.05   0.19     0.16  -0.02   0.02    -0.08   0.00  -0.05
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1298.8588              1325.6269              1351.7081
 Red. masses --      1.2581                 1.5699                 1.4864
 Frc consts  --      1.2505                 1.6254                 1.6001
 IR Inten    --      3.2683                 1.3102                 2.2691
 RamAct Fr= 1--      3.6502                 2.1467                 1.1643
  Dep-P Fr= 1--      0.6598                 0.6751                 0.7007
  Dep-U Fr= 1--      0.7950                 0.8060                 0.8240
 Alpha2 Fr= 1--      0.0059                 0.0028                 0.0010
 Beta2  Fr= 1--      0.4837                 0.2884                 0.1599
 AlphaG Fr= 1--     -0.0279                 0.0146                -0.0033
 Gamma2 Fr= 1--      2.5765                 2.4865                -0.9473
 Delta2 Fr= 1--      0.5941                 1.9241                -0.6832
 Raman1 Fr= 1--      14.601                  8.587                  4.657
 ROA1   Fr= 1--     266.357                300.278               -112.806
 CID1   Fr= 1--      18.243                 34.969                -24.223
 Raman2 Fr= 1--       5.804                  3.461                  1.919
 ROA2   Fr= 1--      57.083                 44.284                -17.270
 CID2   Fr= 1--       9.835                 12.797                 -9.001
 Raman3 Fr= 1--      11.608                  6.921                  3.838
 ROA3   Fr= 1--     266.357                300.278               -112.806
 CID3   Fr= 1--      22.947                 43.385                -29.395
 RC180  Fr= 1--       0.590                  0.612                  0.648
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.08  -0.03     0.05  -0.07  -0.02     0.02   0.04  -0.01
     2   6    -0.01  -0.03  -0.02    -0.01  -0.02  -0.00    -0.01  -0.05   0.03
     3   6    -0.00   0.01  -0.00     0.11   0.04  -0.05     0.00   0.03  -0.02
     4   6    -0.01  -0.02   0.03    -0.01  -0.12   0.03     0.07  -0.09  -0.00
     5   6     0.02  -0.01   0.04     0.04   0.09  -0.00    -0.12  -0.07   0.06
     6   8     0.02  -0.00   0.00    -0.02   0.01   0.01     0.00   0.01  -0.01
     7   1     0.52  -0.37  -0.14    -0.03   0.12   0.00    -0.06   0.04  -0.00
     8   1     0.09  -0.11   0.03    -0.31   0.24   0.05     0.08   0.00  -0.04
     9   1    -0.12  -0.02   0.03    -0.32  -0.07   0.06    -0.05   0.03  -0.01
    10   1     0.09   0.02  -0.02    -0.38  -0.01   0.12    -0.02   0.04  -0.03
    11   1     0.16   0.19   0.20    -0.22   0.48  -0.03    -0.18   0.54  -0.11
    12   6     0.02   0.01  -0.03     0.01   0.04  -0.00    -0.03   0.02  -0.01
    13   1    -0.39  -0.19   0.17    -0.28  -0.18   0.15     0.39   0.36  -0.18
    14   1     0.32   0.16  -0.18    -0.19  -0.11   0.08     0.35   0.34  -0.13
    15   1    -0.06  -0.06  -0.10    -0.02  -0.13  -0.05     0.09  -0.05   0.07
    16   1    -0.03  -0.04   0.05    -0.09  -0.11  -0.01    -0.02   0.01   0.00
    17   1    -0.01   0.03   0.08     0.02   0.03   0.03     0.11  -0.02   0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1379.5282              1417.5538              1450.2102
 Red. masses --      1.3990                 1.2423                 1.0847
 Frc consts  --      1.5687                 1.4708                 1.3441
 IR Inten    --      2.2093                 6.3178                18.4319
 RamAct Fr= 1--      1.8587                 0.1916                 1.9742
  Dep-P Fr= 1--      0.6972                 0.7486                 0.7356
  Dep-U Fr= 1--      0.8216                 0.8562                 0.8476
 Alpha2 Fr= 1--      0.0017                 0.0000                 0.0005
 Beta2  Fr= 1--      0.2545                 0.0273                 0.2789
 AlphaG Fr= 1--     -0.0115                 0.0003                 0.0112
 Gamma2 Fr= 1--     -0.0835                 0.0412                 0.0072
 Delta2 Fr= 1--     -0.0085                -0.1448                 0.5141
 Raman1 Fr= 1--       7.435                  0.766                  7.897
 ROA1   Fr= 1--      -8.292                 -0.675                 17.139
 CID1   Fr= 1--      -1.115                 -0.881                  2.170
 Raman2 Fr= 1--       3.054                  0.328                  3.347
 ROA2   Fr= 1--      -1.937                  2.148                 -3.940
 CID2   Fr= 1--      -0.634                  6.549                 -1.177
 Raman3 Fr= 1--       6.109                  0.656                  6.694
 ROA3   Fr= 1--      -8.292                 -0.675                 17.139
 CID3   Fr= 1--      -1.357                 -1.029                  2.560
 RC180  Fr= 1--       0.643                  0.712                  0.695
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02   0.01    -0.01  -0.01   0.01    -0.02  -0.02   0.01
     2   6     0.00   0.01   0.00    -0.00   0.00  -0.01     0.00  -0.01   0.01
     3   6     0.01  -0.00   0.03     0.00   0.01  -0.01     0.02  -0.06   0.04
     4   6    -0.12  -0.05  -0.11     0.02   0.01   0.03    -0.00  -0.01   0.01
     5   6    -0.01   0.00   0.03     0.01   0.01  -0.01     0.01  -0.00  -0.00
     6   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   1    -0.03   0.08   0.02     0.06   0.05  -0.00     0.16   0.20  -0.00
     8   1    -0.01   0.03  -0.05    -0.01   0.02  -0.08     0.02   0.06  -0.24
     9   1     0.18  -0.10  -0.02    -0.06  -0.10   0.01    -0.04   0.64   0.04
    10   1    -0.12  -0.01   0.04     0.02  -0.04   0.11    -0.20   0.17  -0.60
    11   1     0.60   0.26   0.51    -0.09  -0.06  -0.06    -0.01   0.01   0.01
    12   6     0.05   0.01  -0.04    -0.07  -0.04  -0.11     0.00  -0.00  -0.02
    13   1     0.16   0.23  -0.08    -0.09  -0.06   0.03    -0.05   0.02   0.00
    14   1    -0.10  -0.09   0.04    -0.03   0.00   0.04    -0.00   0.02   0.04
    15   1     0.02   0.02  -0.04     0.42   0.20   0.30     0.05   0.07   0.03
    16   1     0.00   0.01   0.23     0.10   0.34   0.42    -0.02  -0.03   0.03
    17   1    -0.03   0.05   0.21     0.25  -0.08   0.49    -0.06   0.02   0.09
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1455.8960              1497.5749              1500.7747
 Red. masses --      1.0839                 1.0578                 1.0574
 Frc consts  --      1.3536                 1.3977                 1.4033
 IR Inten    --      4.0481                 6.7821                 1.4609
 RamAct Fr= 1--      7.7944                 4.6224                 4.9925
  Dep-P Fr= 1--      0.6668                 0.7405                 0.7291
  Dep-U Fr= 1--      0.8001                 0.8509                 0.8433
 Alpha2 Fr= 1--      0.0115                 0.0007                 0.0018
 Beta2  Fr= 1--      1.0394                 0.6555                 0.7017
 AlphaG Fr= 1--      0.0489                -0.0027                -0.0052
 Gamma2 Fr= 1--     -1.2165                 0.3105                -0.0054
 Delta2 Fr= 1--      0.8054                -0.0208                -1.1235
 Raman1 Fr= 1--      31.178                 18.490                 19.970
 ROA1   Fr= 1--     -91.011                 29.144                -36.472
 CID1   Fr= 1--      -2.919                  1.576                 -1.826
 Raman2 Fr= 1--      12.473                  7.866                  8.421
 ROA2   Fr= 1--     -35.640                  7.619                  8.858
 CID2   Fr= 1--      -2.857                  0.968                  1.052
 Raman3 Fr= 1--      24.946                 15.733                 16.841
 ROA3   Fr= 1--     -91.011                 29.144                -36.472
 CID3   Fr= 1--      -3.648                  1.852                 -2.166
 RC180  Fr= 1--       0.600                  0.702                  0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.04  -0.05     0.00   0.01  -0.00     0.01   0.01  -0.01
     2   6     0.00   0.01  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6     0.01  -0.02   0.02    -0.00  -0.01   0.00    -0.00   0.01  -0.00
     4   6    -0.01  -0.01  -0.00     0.01   0.02  -0.00     0.02  -0.02   0.00
     5   6     0.01   0.00  -0.01    -0.02   0.03   0.02    -0.02   0.03   0.01
     6   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   1    -0.43  -0.47  -0.00    -0.04  -0.05  -0.00    -0.07  -0.07  -0.00
     8   1    -0.05  -0.15   0.63     0.00  -0.01   0.06    -0.01  -0.02   0.09
     9   1    -0.02   0.22   0.02    -0.01   0.03   0.00     0.00  -0.02  -0.00
    10   1    -0.08   0.06  -0.22     0.02   0.00  -0.03    -0.00   0.00   0.02
    11   1     0.02   0.02   0.03    -0.01  -0.04  -0.03    -0.03   0.04  -0.03
    12   6    -0.01  -0.00  -0.02     0.01   0.03  -0.03     0.03  -0.04  -0.01
    13   1    -0.11   0.08  -0.02     0.26  -0.25   0.07     0.16  -0.17   0.05
    14   1    -0.04   0.06   0.12     0.02  -0.19  -0.31     0.03  -0.10  -0.20
    15   1     0.06  -0.01   0.03     0.36  -0.26   0.21    -0.05   0.62   0.03
    16   1     0.02   0.06   0.08    -0.30  -0.33   0.39    -0.03  -0.18  -0.31
    17   1     0.07  -0.02   0.05    -0.28   0.09  -0.19    -0.40   0.12   0.42
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1508.0082              1814.6054              3025.7798
 Red. masses --      1.0740                12.5848                 1.0479
 Frc consts  --      1.4391                24.4152                 5.6524
 IR Inten    --      5.9995               258.7535                27.5647
 RamAct Fr= 1--      1.6568                19.7009                36.3394
  Dep-P Fr= 1--      0.6238                 0.5485                 0.3692
  Dep-U Fr= 1--      0.7684                 0.7085                 0.5393
 Alpha2 Fr= 1--      0.0038                 0.0759                 0.2994
 Beta2  Fr= 1--      0.2122                 2.3262                 3.2664
 AlphaG Fr= 1--     -0.0025                 0.3496                 0.2424
 Gamma2 Fr= 1--     -0.3285                 3.7284                 1.0537
 Delta2 Fr= 1--      0.1781                 0.7258                 0.4933
 Raman1 Fr= 1--       6.627                 78.803                145.357
 ROA1   Fr= 1--     -25.840                381.154                116.946
 CID1   Fr= 1--      -3.899                  4.837                  0.805
 Raman2 Fr= 1--       2.546                 27.914                 39.197
 ROA2   Fr= 1--      -9.310                 83.675                 21.343
 CID2   Fr= 1--      -3.657                  2.998                  0.545
 Raman3 Fr= 1--       5.092                 55.829                 78.394
 ROA3   Fr= 1--     -25.840                381.154                116.946
 CID3   Fr= 1--      -5.075                  6.827                  1.492
 RC180  Fr= 1--       0.537                  0.417                  0.079
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.00    -0.04   0.01   0.01     0.00  -0.00   0.01
     2   6     0.00   0.00  -0.00     0.75  -0.26  -0.20     0.00   0.00  -0.00
     3   6    -0.01   0.01  -0.00    -0.04   0.01   0.01    -0.01   0.01  -0.04
     4   6     0.02   0.00  -0.01    -0.02   0.01   0.01    -0.01  -0.00   0.01
     5   6     0.03  -0.05  -0.02    -0.02   0.01   0.00     0.00  -0.00  -0.00
     6   8    -0.00   0.00   0.00    -0.49   0.17   0.13    -0.00   0.00   0.00
     7   1     0.03   0.03  -0.00     0.03  -0.04   0.00    -0.01   0.01  -0.10
     8   1    -0.00   0.00  -0.04     0.10  -0.09  -0.01     0.01   0.01   0.01
     9   1     0.02  -0.10  -0.01     0.01   0.00  -0.01     0.13   0.00   0.52
    10   1     0.04  -0.02   0.09     0.15   0.02  -0.06    -0.01  -0.16  -0.07
    11   1    -0.04  -0.03  -0.07    -0.02  -0.00   0.02     0.11   0.02  -0.14
    12   6     0.03   0.01  -0.01     0.00  -0.00  -0.00    -0.01  -0.01  -0.04
    13   1    -0.36   0.37  -0.11     0.03  -0.00   0.00     0.01   0.03   0.08
    14   1    -0.01   0.28   0.44    -0.02   0.02  -0.00    -0.03   0.02  -0.02
    15   1     0.20   0.08   0.14    -0.01  -0.02  -0.01    -0.33  -0.06   0.43
    16   1    -0.23  -0.34   0.09     0.00   0.01   0.02     0.34  -0.23   0.05
    17   1    -0.39   0.12   0.01     0.01  -0.00  -0.01     0.11   0.38  -0.04
                     37                     38                     39
                      A                      A                      A
 Frequencies --   3028.0990              3039.1426              3046.6239
 Red. masses --      1.0572                 1.0685                 1.0652
 Frc consts  --      5.7113                 5.8149                 5.8255
 IR Inten    --      5.0903                13.8120                13.2455
 RamAct Fr= 1--    178.9619               115.7655                86.7995
  Dep-P Fr= 1--      0.0344                 0.1590                 0.1179
  Dep-U Fr= 1--      0.0665                 0.2744                 0.2110
 Alpha2 Fr= 1--      3.6686                 1.7490                 1.4540
 Beta2  Fr= 1--      1.9821                 5.2943                 3.0525
 AlphaG Fr= 1--     -0.9551                -0.7652                -0.8268
 Gamma2 Fr= 1--      9.0499                -5.7910                -4.1878
 Delta2 Fr= 1--     -1.6994                 0.4811                -2.3084
 Raman1 Fr= 1--     715.848                463.062                347.198
 ROA1   Fr= 1--     814.406               -540.542               -475.898
 CID1   Fr= 1--       1.138                 -1.167                 -1.371
 Raman2 Fr= 1--      23.785                 63.532                 36.630
 ROA2   Fr= 1--     230.792               -142.832                -82.040
 CID2   Fr= 1--       9.703                 -2.248                 -2.240
 Raman3 Fr= 1--      47.571                127.064                 73.260
 ROA3   Fr= 1--     814.406               -540.542               -475.898
 CID3   Fr= 1--      17.120                 -4.254                 -6.496
 RC180  Fr= 1--      -0.867                 -0.451                 -0.578
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.01     0.00   0.00   0.02     0.01   0.02  -0.06
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.02   0.02  -0.05     0.00  -0.00   0.00     0.00   0.00   0.00
     4   6    -0.01  -0.00   0.01    -0.02  -0.00   0.02    -0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00     0.01  -0.04  -0.05     0.01  -0.02  -0.00
     6   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     7   1     0.01  -0.01   0.08    -0.03   0.02  -0.22     0.12  -0.05   0.88
     8   1    -0.02  -0.02  -0.01    -0.01  -0.02  -0.00    -0.22  -0.24  -0.11
     9   1     0.19  -0.00   0.73    -0.02  -0.00  -0.07    -0.00   0.00  -0.02
    10   1    -0.01  -0.20  -0.08     0.00   0.03   0.01    -0.00  -0.01  -0.00
    11   1     0.08   0.02  -0.10     0.23   0.04  -0.29     0.02   0.00  -0.02
    12   6     0.01   0.01   0.03     0.01   0.00   0.00    -0.01  -0.00  -0.00
    13   1    -0.01  -0.02  -0.06     0.12   0.28   0.75     0.02   0.05   0.14
    14   1     0.02  -0.02   0.02    -0.23   0.18  -0.17    -0.16   0.14  -0.11
    15   1     0.23   0.04  -0.30     0.02   0.00  -0.03    -0.01  -0.00   0.01
    16   1    -0.27   0.18  -0.04    -0.10   0.07  -0.02     0.08  -0.05   0.01
    17   1    -0.08  -0.30   0.03    -0.03  -0.13   0.01     0.02   0.07  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3057.0778              3087.3755              3088.0415
 Red. masses --      1.0835                 1.0983                 1.0990
 Frc consts  --      5.9664                 6.1680                 6.1746
 IR Inten    --     24.2966                13.0036                52.9738
 RamAct Fr= 1--    222.1064                68.0319                54.2396
  Dep-P Fr= 1--      0.1543                 0.2784                 0.2150
  Dep-U Fr= 1--      0.2673                 0.4355                 0.3539
 Alpha2 Fr= 1--      3.3966                 0.7436                 0.7077
 Beta2  Fr= 1--      9.8943                 4.9385                 3.1992
 AlphaG Fr= 1--      0.6876                 0.3983                 0.4209
 Gamma2 Fr= 1--     11.2908                17.3333                 0.1281
 Delta2 Fr= 1--      6.8512                11.7567                 0.3623
 Raman1 Fr= 1--     888.426                272.128                216.958
 ROA1   Fr= 1--    1303.154               2040.211                 23.894
 CID1   Fr= 1--       1.467                  7.497                  0.110
 Raman2 Fr= 1--     118.732                 59.262                 38.390
 ROA2   Fr= 1--     216.169                321.945                  0.176
 CID2   Fr= 1--       1.821                  5.433                  0.005
 Raman3 Fr= 1--     237.464                118.525                 76.780
 ROA3   Fr= 1--    1303.154               2040.211                 23.894
 CID3   Fr= 1--       5.488                 17.213                  0.311
 RC180  Fr= 1--      -0.465                 -0.129                 -0.292
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.01     0.02   0.02   0.00     0.00   0.01   0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00   0.01  -0.01     0.00   0.01   0.00    -0.00   0.00  -0.00
     4   6     0.04   0.01  -0.05     0.00   0.00  -0.00     0.02   0.00  -0.02
     5   6     0.01  -0.02  -0.02    -0.05   0.03  -0.06     0.01  -0.01   0.00
     6   8     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     7   1    -0.01   0.01  -0.11     0.01   0.00   0.05     0.00   0.00   0.01
     8   1    -0.01  -0.01  -0.00    -0.21  -0.23  -0.09    -0.06  -0.07  -0.03
     9   1     0.05  -0.00   0.19    -0.00   0.00  -0.02     0.01  -0.00   0.03
    10   1     0.00  -0.06  -0.02    -0.00  -0.08  -0.03     0.00  -0.02  -0.01
    11   1    -0.51  -0.10   0.64    -0.03  -0.01   0.04    -0.20  -0.04   0.26
    12   6    -0.03  -0.01   0.01     0.01  -0.02  -0.00     0.07   0.03  -0.04
    13   1     0.05   0.12   0.32     0.04   0.13   0.32     0.00  -0.00  -0.00
    14   1    -0.12   0.10  -0.09     0.56  -0.48   0.37    -0.08   0.07  -0.05
    15   1     0.14   0.03  -0.19    -0.04  -0.01   0.06    -0.41  -0.07   0.55
    16   1     0.12  -0.09   0.02    -0.18   0.12  -0.03    -0.30   0.22  -0.07
    17   1     0.03   0.15  -0.01     0.05   0.16  -0.01    -0.12  -0.47   0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3094.0581              3100.3022              3102.9851
 Red. masses --      1.1014                 1.0945                 1.0981
 Frc consts  --      6.2123                 6.1983                 6.2293
 IR Inten    --     30.2300                17.0876                13.8814
 RamAct Fr= 1--     84.5947                89.8075               113.6673
  Dep-P Fr= 1--      0.5736                 0.4507                 0.4502
  Dep-U Fr= 1--      0.7291                 0.6214                 0.6209
 Alpha2 Fr= 1--      0.2809                 0.5489                 0.6963
 Beta2  Fr= 1--     10.2792                 9.3010                11.7620
 AlphaG Fr= 1--      0.5753                 0.6323                 0.7770
 Gamma2 Fr= 1--    -11.6006                 1.9843               -21.6174
 Delta2 Fr= 1--     -7.5198                 6.8628               -12.6902
 Raman1 Fr= 1--     338.379                359.230                454.669
 ROA1   Fr= 1--   -1354.297                410.100              -2481.355
 CID1   Fr= 1--      -4.002                  1.142                 -5.457
 Raman2 Fr= 1--     123.351                111.612                141.144
 ROA2   Fr= 1--    -218.257                 -7.279               -417.295
 CID2   Fr= 1--      -1.769                 -0.065                 -2.957
 Raman3 Fr= 1--     246.701                223.224                282.288
 ROA3   Fr= 1--   -1354.297                410.100              -2481.355
 CID3   Fr= 1--      -5.490                  1.837                 -8.790
 RC180  Fr= 1--       0.458                  0.243                  0.242
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00    -0.05  -0.05  -0.05
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.02   0.01    -0.01  -0.07  -0.04    -0.00   0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6     0.02  -0.01   0.02    -0.00   0.00  -0.00    -0.01   0.00  -0.03
     6   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     7   1     0.00  -0.00   0.02     0.00  -0.00   0.03     0.04  -0.04   0.34
     8   1     0.08   0.09   0.03     0.02   0.03   0.01     0.56   0.62   0.23
     9   1    -0.01   0.00  -0.05     0.06  -0.02   0.25     0.00   0.00   0.00
    10   1    -0.01  -0.19  -0.06     0.01   0.89   0.29    -0.00  -0.05  -0.01
    11   1    -0.01  -0.00   0.01    -0.01  -0.00   0.02    -0.03  -0.01   0.04
    12   6     0.03  -0.08   0.01     0.01  -0.02   0.00     0.00   0.01  -0.01
    13   1    -0.01  -0.03  -0.08     0.00   0.01   0.02     0.03   0.08   0.21
    14   1    -0.17   0.15  -0.11     0.02  -0.01   0.01     0.15  -0.13   0.10
    15   1    -0.02  -0.02   0.04    -0.02  -0.01   0.03    -0.04  -0.01   0.06
    16   1    -0.56   0.36  -0.10    -0.13   0.09  -0.02     0.01  -0.00   0.00
    17   1     0.18   0.60  -0.04     0.04   0.14  -0.01    -0.02  -0.08   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  8 and mass  15.99491
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Molecular mass:    98.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   407.55100 818.49953 979.10228
           X            0.99920   0.03498   0.01957
           Y           -0.03481   0.99936  -0.00855
           Z           -0.01986   0.00787   0.99977
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.21252     0.10582     0.08846
 Rotational constants (GHZ):           4.42826     2.20494     1.84326
 Zero-point vibrational energy     391322.0 (Joules/Mol)
                                   93.52821 (Kcal/Mol)
 Warning -- explicit consideration of   8 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    106.19   249.49   339.43   504.32   529.20
          (Kelvin)            662.02   685.23   840.61   966.52  1061.05
                             1144.51  1172.27  1275.73  1346.17  1388.39
                             1440.22  1451.94  1498.56  1619.31  1667.22
                             1694.56  1737.71  1772.69  1829.63  1868.77
                             1907.28  1944.81  1984.83  2039.54  2086.53
                             2094.71  2154.68  2159.28  2169.69  2610.81
                             4353.42  4356.76  4372.65  4383.41  4398.45
                             4442.04  4443.00  4451.66  4460.64  4464.50
 
 Zero-point correction=                           0.149047 (Hartree/Particle)
 Thermal correction to Energy=                    0.155949
 Thermal correction to Enthalpy=                  0.156893
 Thermal correction to Gibbs Free Energy=         0.118158
 Sum of electronic and zero-point Energies=           -309.885082
 Sum of electronic and thermal Energies=              -309.878180
 Sum of electronic and thermal Enthalpies=            -309.877235
 Sum of electronic and thermal Free Energies=         -309.915970
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   97.859             26.109             81.525
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.660
 Rotational               0.889              2.981             27.282
 Vibrational             96.082             20.148             14.583
 Vibration     1          0.599              1.966              4.049
 Vibration     2          0.627              1.875              2.398
 Vibration     3          0.655              1.786              1.833
 Vibration     4          0.727              1.574              1.164
 Vibration     5          0.740              1.538              1.089
 Vibration     6          0.818              1.338              0.766
 Vibration     7          0.833              1.303              0.720
 Vibration     8          0.941              1.065              0.478
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.447884D-54        -54.348835       -125.142816
 Total V=0       0.161369D+15         14.207820         32.714714
 Vib (Bot)       0.573491D-67        -67.241474       -154.829215
 Vib (Bot)    1  0.279281D+01          0.446041          1.027048
 Vib (Bot)    2  0.116085D+01          0.064775          0.149150
 Vib (Bot)    3  0.832684D+00         -0.079520         -0.183101
 Vib (Bot)    4  0.526178D+00         -0.278867         -0.642115
 Vib (Bot)    5  0.495720D+00         -0.304763         -0.701743
 Vib (Bot)    6  0.369614D+00         -0.432252         -0.995297
 Vib (Bot)    7  0.352291D+00         -0.453098         -1.043297
 Vib (Bot)    8  0.259703D+00         -0.585524         -1.348218
 Vib (V=0)       0.206624D+02          1.315181          3.028316
 Vib (V=0)    1  0.333721D+01          0.523384          1.205137
 Vib (V=0)    2  0.176395D+01          0.246486          0.567555
 Vib (V=0)    3  0.147127D+01          0.167692          0.386125
 Vib (V=0)    4  0.122585D+01          0.088439          0.203637
 Vib (V=0)    5  0.120409D+01          0.080658          0.185722
 Vib (V=0)    6  0.112178D+01          0.049909          0.114920
 Vib (V=0)    7  0.111164D+01          0.045966          0.105840
 Vib (V=0)    8  0.106342D+01          0.026706          0.061493
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.381750D+08          7.581779         17.457692
 Rotational      0.204578D+06          5.310860         12.228707
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000016224    0.000001202    0.000001497
      2        6           0.000018832    0.000000088   -0.000012141
      3        6          -0.000004367    0.000006677    0.000011464
      4        6          -0.000023503   -0.000003123   -0.000038861
      5        6          -0.000030882   -0.000017336    0.000016957
      6        8           0.000002542   -0.000000148   -0.000004366
      7        1           0.000003017    0.000006951    0.000001161
      8        1          -0.000000167    0.000000160   -0.000003286
      9        1           0.000000701    0.000004477   -0.000001162
     10        1           0.000002162   -0.000001163    0.000001000
     11        1           0.000002526    0.000000452    0.000001521
     12        6           0.000001922   -0.000007885   -0.000003620
     13        1           0.000001264    0.000003063   -0.000000299
     14        1           0.000000765   -0.000004508    0.000002453
     15        1           0.000006280    0.000008259    0.000018364
     16        1           0.000000289    0.000001524    0.000003994
     17        1           0.000002395    0.000001310    0.000005324
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000038861 RMS     0.000010220
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.816393D+02 -0.102934D+01 -0.160751D+01
      2  -0.102934D+01  0.746440D+02 -0.160442D+01
      3  -0.160751D+01 -0.160442D+01  0.659059D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.298893D+01  0.350436D+00 -0.213749D+01
      2  -0.940730D+01 -0.323517D+01 -0.188106D+02
      3   0.589549D+01  0.146532D+02  0.271758D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.209342D+02 -0.175891D+02 -0.252823D+02
      2   0.112658D+02  0.162556D+02  0.968587D+01
      3   0.966841D+01  0.133344D+01  0.155964D+02
      4  -0.874911D+01 -0.302115D+02 -0.842639D+01
      5  -0.219133D+02 -0.614271D+01 -0.402751D+02
      6  -0.101833D+00  0.222989D+01  0.563232D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.220379D+00 -0.220284D+01 -0.131607D+01 -0.188773D+01 -0.367254D+01
      2  -0.220284D+01 -0.526403D+01  0.591738D+00 -0.367254D+01 -0.259375D-01
      3  -0.131607D+01  0.591738D+00  0.530562D+00  0.771971D-01 -0.976737D+00
                 6             7             8             9            10 
      1   0.771971D-01 -0.138672D+01 -0.109999D+01  0.866380D+00 -0.605603D+01
      2  -0.976737D+00 -0.109999D+01 -0.289817D+00 -0.103391D+01  0.395929D+01
      3  -0.330314D+00  0.866380D+00 -0.103391D+01  0.505427D+01  0.108345D+01
                11            12            13            14            15 
      1   0.395929D+01  0.108345D+01  0.305706D+01  0.646193D+00 -0.792693D+00
      2   0.415748D+01 -0.237727D+01  0.646193D+00 -0.283801D+01  0.552791D+00
      3  -0.237727D+01  0.878625D+00 -0.792693D+00  0.552791D+00  0.375199D+00
                16            17            18            19            20 
      1   0.136986D+01 -0.961207D+00 -0.455499D+00  0.118259D+01 -0.287761D+01
      2  -0.961207D+00 -0.935059D+00  0.865615D+00 -0.287761D+01 -0.127357D+01
      3  -0.455499D+00  0.865615D+00 -0.816942D-01  0.121936D+01  0.106220D+01
                21            22            23            24            25 
      1   0.121936D+01 -0.190755D+01 -0.214564D-01  0.244526D+00 -0.851194D+00
      2   0.106220D+01 -0.214564D-01  0.662238D+01  0.128019D+01  0.399593D+00
      3  -0.258476D+01  0.244526D+00  0.128019D+01 -0.304972D+00 -0.173920D+01
                26            27            28            29            30 
      1   0.399593D+00 -0.173920D+01 -0.133939D+01  0.236836D+01 -0.208428D+01
      2   0.242215D+01  0.249753D+00  0.236836D+01 -0.303846D+01  0.102623D+01
      3   0.249753D+00 -0.543843D+01 -0.208428D+01  0.102623D+01  0.413707D+01
                31            32            33            34            35 
      1   0.190621D+01 -0.220041D+01  0.854513D+00 -0.173720D+01  0.694089D+00
      2  -0.220041D+01 -0.500947D+01 -0.792101D+00  0.694089D+00  0.683594D+00
      3   0.854513D+00 -0.792101D+00  0.181574D+01  0.490547D+01  0.202118D+01
                36            37            38            39            40 
      1   0.490547D+01  0.221331D+00 -0.167542D+01  0.254046D+01 -0.720940D+00
      2   0.202118D+01 -0.167542D+01  0.332212D+01 -0.103825D+01  0.359629D+01
      3  -0.239164D+00  0.254046D+01 -0.103825D+01 -0.136115D+01 -0.135689D+01
                41            42            43            44            45 
      1   0.359629D+01 -0.135689D+01  0.274290D+01 -0.206750D+01 -0.105326D+01
      2   0.243468D+01  0.159594D+00 -0.206750D+01 -0.125348D+00 -0.343827D+01
      3   0.159594D+00 -0.223117D+01 -0.105326D+01 -0.343827D+01 -0.482294D+01
                46            47            48            49            50 
      1   0.152041D+02 -0.362317D+01 -0.207771D+01 -0.309972D+01  0.378587D+01
      2  -0.362317D+01  0.119605D+01  0.101042D+01  0.378587D+01 -0.224209D+01
      3  -0.207771D+01  0.101042D+01  0.146018D+01  0.717089D+00 -0.112772D+01
                51            52            53            54            55 
      1   0.717089D+00 -0.212725D+01  0.693998D+00  0.384906D+01 -0.633978D+00
      2  -0.112772D+01  0.693998D+00 -0.350907D+00 -0.152650D+01  0.526883D+00
      3  -0.752122D+00  0.384906D+01 -0.152650D+01 -0.194815D+01 -0.898015D+00
                56            57            58            59            60 
      1   0.526883D+00 -0.898015D+00  0.141525D+00  0.230832D+00  0.140052D+00
      2   0.505921D+00 -0.489214D-01  0.230832D+00  0.838072D+00 -0.929194D+00
      3  -0.489214D-01 -0.414684D+00  0.140052D+00 -0.929194D+00  0.560634D+00
                61            62            63            64            65 
      1  -0.159721D+01  0.276315D+00 -0.649939D-01  0.420308D+01  0.324978D+01
      2   0.276315D+00 -0.219691D+01  0.218357D+01  0.324978D+01  0.443655D+01
      3  -0.649939D-01  0.218357D+01 -0.797898D+01  0.269487D+00 -0.309912D-01
                66            67            68            69            70 
      1   0.269487D+00  0.275536D+01  0.296381D+01  0.899608D-01  0.113904D+01
      2  -0.309912D-01  0.296381D+01  0.592682D+01  0.501431D+00  0.903024D+00
      3   0.652558D+00  0.899608D-01  0.501431D+00  0.929522D+00  0.480399D+00
                71            72            73            74            75 
      1   0.903024D+00  0.480399D+00  0.785728D+00  0.497376D-01  0.133582D+01
      2   0.135225D+01  0.120802D+01  0.497376D-01  0.633256D+00 -0.757363D+00
      3   0.120802D+01 -0.252485D-02  0.133582D+01 -0.757363D+00  0.202860D+01
                76            77            78            79            80 
      1   0.462972D+00  0.959084D-01 -0.111687D+00  0.231465D+01 -0.301203D+00
      2   0.959084D-01 -0.969340D+00  0.107097D+01 -0.301203D+00  0.148722D+01
      3  -0.111687D+00  0.107097D+01 -0.289556D+00  0.143705D+01 -0.180230D+01
                81            82            83            84            85 
      1   0.143705D+01 -0.139025D+00 -0.967107D+00 -0.416931D+00 -0.163014D+01
      2  -0.180230D+01 -0.967107D+00  0.407265D+00 -0.244842D+00 -0.263722D-01
      3   0.926645D+01 -0.416931D+00 -0.244842D+00  0.247855D+00 -0.826915D-01
                86            87            88            89            90 
      1  -0.263722D-01 -0.826915D-01 -0.563781D+00  0.138688D+00  0.635127D-01
      2  -0.933073D+01 -0.324780D+00  0.138688D+00 -0.257005D+01 -0.118921D+01
      3  -0.324780D+00 -0.127183D+01  0.635127D-01 -0.118921D+01  0.200823D+00
                91            92            93            94            95 
      1  -0.483116D+01 -0.985422D+00  0.283786D+01 -0.713661D+00 -0.760995D+00
      2  -0.985422D+00 -0.715974D+00  0.193497D+00 -0.760995D+00 -0.675894D-01
      3   0.283786D+01  0.193497D+00 -0.343312D+01  0.148746D+00  0.101369D+01
                96            97            98            99           100 
      1   0.148746D+00  0.327969D+01  0.407941D+00 -0.354145D+01  0.330839D+01
      2   0.101369D+01  0.407941D+00  0.993637D+00 -0.819235D+00 -0.266423D+01
      3  -0.778944D+00 -0.354145D+01 -0.819235D+00  0.527305D+01  0.176988D+01
               101           102           103           104           105 
      1  -0.266423D+01  0.176988D+01 -0.329166D+01  0.398531D+01 -0.126758D+01
      2   0.284489D+01 -0.109537D+01  0.398531D+01  0.583417D+01  0.578831D+00
      3  -0.109537D+01 -0.365908D+01 -0.126758D+01  0.578831D+00 -0.153970D+01
               106           107           108           109           110 
      1   0.118751D+01 -0.125180D+01 -0.412009D+01  0.490569D+00  0.750024D+00
      2  -0.125180D+01 -0.764404D+00 -0.158368D+01  0.750024D+00  0.673610D-01
      3  -0.412009D+01 -0.158368D+01  0.978068D+00  0.720770D+00  0.389181D+00
               111           112           113           114           115 
      1   0.720770D+00  0.675342D+00 -0.296778D+00  0.553341D-01  0.118744D+01
      2   0.389181D+00 -0.296778D+00  0.216228D+01  0.209268D+01  0.400852D+00
      3   0.768955D+00  0.553341D-01  0.209268D+01  0.231074D+01  0.622253D-01
               116           117           118           119           120 
      1   0.400852D+00  0.622253D-01 -0.459571D+01  0.300450D+01 -0.118075D+01
      2   0.307371D+01  0.359959D+01  0.300450D+01 -0.367708D+01  0.665260D+00
      3   0.359959D+01  0.739604D+01 -0.118075D+01  0.665260D+00 -0.933693D+00
               121           122           123           124           125 
      1   0.242281D+01 -0.278893D+01  0.578333D+00 -0.191020D+01  0.124782D+01
      2  -0.278893D+01  0.417244D+01 -0.784533D+00  0.124782D+01 -0.188977D+01
      3   0.578333D+00 -0.784533D+00  0.119631D+01 -0.100809D+01  0.156829D+01
               126           127           128           129           130 
      1  -0.100809D+01  0.190009D+01  0.514064D+00 -0.132667D+01  0.588701D+00
      2   0.156829D+01  0.514064D+00  0.529776D+00  0.275375D+00 -0.270800D-01
      3  -0.616576D+00 -0.132667D+01  0.275375D+00  0.300777D+01  0.803886D-01
               131           132           133           134           135 
      1  -0.270800D-01  0.803886D-01 -0.195570D+01 -0.793345D-01  0.135135D+01
      2  -0.472970D+00 -0.781208D+00 -0.793345D-01 -0.103973D+01 -0.116822D+00
      3  -0.781208D+00  0.425478D+00  0.135135D+01 -0.116822D+00 -0.589687D+01
               136           137           138           139           140 
      1  -0.785619D+01  0.206175D+01 -0.207250D+01  0.379661D+01 -0.216946D+01
      2   0.206175D+01 -0.204938D+01  0.462356D+00 -0.216946D+01  0.137250D+01
      3  -0.207250D+01  0.462356D+00 -0.130410D+01  0.120027D+01 -0.551062D+00
               141           142           143           144           145 
      1   0.120027D+01 -0.122601D+01  0.492459D+00 -0.986148D+00 -0.206474D+01
      2  -0.551062D+00  0.492459D+00 -0.137918D+00  0.570942D+00 -0.148859D+01
      3   0.128958D+01 -0.986148D+00  0.570942D+00 -0.962974D+00 -0.404163D+00
               146           147           148           149           150 
      1  -0.148859D+01 -0.404163D+00 -0.255518D+01 -0.334020D+01 -0.574865D+00
      2  -0.208217D+01 -0.832553D-01 -0.334020D+01 -0.840720D+01 -0.982831D+00
      3  -0.832553D-01 -0.215834D-01 -0.574865D+00 -0.982831D+00 -0.140460D+01
               151           152           153 
      1   0.134178D+00  0.106258D+00 -0.467095D-01
      2   0.106258D+00  0.287361D+00 -0.757058D+00
      3  -0.467095D-01 -0.757058D+00 -0.180413D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.528351D+01  0.429872D+01 -0.193055D+01  0.192680D+01  0.257194D+01
      2  -0.101569D+01 -0.127743D+01  0.122624D+01 -0.167432D+01 -0.327566D+01
      3   0.500760D+01  0.732845D+00 -0.474100D+01  0.642134D+01 -0.485412D+01
                 6             7             8             9            10 
      1  -0.439011D+01 -0.482828D+01  0.495570D+01 -0.710719D+01 -0.280063D+01
      2  -0.102281D+01 -0.310867D+01 -0.261168D+01  0.776875D+01 -0.406662D+01
      3  -0.113710D+00 -0.388288D+01 -0.307872D+01  0.427053D+01  0.129829D+01
                11            12            13            14            15 
      1   0.823779D+01 -0.316818D+01  0.548619D+01  0.605052D+01  0.101859D+01
      2  -0.783482D+01 -0.457853D+01 -0.434463D+01 -0.698089D-01  0.185761D+01
      3  -0.450822D+01  0.445499D+01  0.947222D+00 -0.103431D+01 -0.211133D+01
                16            17            18            19            20 
      1   0.234531D+01  0.183783D+02 -0.740220D+01 -0.613513D+00 -0.384219D+00
      2  -0.120427D+02 -0.194194D+01  0.673734D+01 -0.407346D+01  0.465034D+01
      3   0.288058D+01 -0.534184D+01  0.343897D-01 -0.610407D+00  0.387957D+01
                21            22            23            24            25 
      1  -0.497709D+01  0.130650D+01  0.869961D+01 -0.273711D+01 -0.684785D+00
      2   0.107380D+01  0.384559D+01 -0.654101D+00  0.262613D+01 -0.491605D+01
      3  -0.240715D+01  0.834953D+01 -0.575897D+01  0.983517D+00 -0.156448D+01
                26            27            28            29            30 
      1   0.489788D+01 -0.768504D+01  0.143396D+01 -0.195725D+01  0.101697D+01
      2   0.113494D+01 -0.201832D+01  0.825553D+01 -0.198855D+01 -0.173549D+01
      3   0.722029D+00  0.168649D+01  0.504179D+01 -0.893654D+01  0.168583D+01
                31            32            33            34            35 
      1  -0.295196D+01 -0.339383D+01 -0.293464D+01 -0.987411D-01  0.477784D+01
      2  -0.361218D+01  0.127520D+01 -0.239502D+01 -0.904313D+01 -0.410839D+01
      3  -0.275242D+01 -0.696967D+01  0.553833D-01  0.102432D+01  0.201896D+00
                36            37            38            39            40 
      1   0.617449D+00 -0.438074D+01  0.544229D+01  0.208604D+01  0.556881D+01
      2  -0.486655D+00 -0.630430D+01  0.343548D+01  0.173796D+01  0.250038D+01
      3   0.132535D+01 -0.539060D+01 -0.117093D+01  0.331066D+01  0.493254D+01
                41            42            43            44            45 
      1   0.290520D+01  0.204983D+01  0.170494D+01  0.919569D+01  0.476360D+01
      2  -0.239399D+01  0.258537D+01 -0.410035D+01  0.473837D+01  0.420850D+01
      3   0.889374D+01 -0.167308D+01  0.364775D+01 -0.369131D+01 -0.401152D+01
                46            47            48            49            50 
      1   0.106760D+01 -0.508845D+01  0.388057D+01 -0.159921D+01 -0.238086D+00
      2  -0.830550D+00  0.166494D+01  0.122227D+02  0.140701D+01 -0.120391D+01
      3  -0.167035D+01 -0.118399D+02 -0.105528D+00 -0.131527D+01  0.608432D+01
                51            52            53            54            55 
      1  -0.290774D+01 -0.483746D+00 -0.351874D+01  0.164211D+01  0.874292D-01
      2  -0.365089D+01  0.433399D+01  0.749861D-01 -0.606872D+01 -0.182804D+01
      3   0.989059D+00  0.140655D+01  0.406537D+01  0.347675D+00 -0.181878D+01
                56            57            58            59            60 
      1   0.884055D+00  0.820558D+00  0.139948D+01  0.494708D-01 -0.779959D+00
      2   0.260989D+00  0.220639D-01 -0.102100D+00 -0.497932D+00  0.491329D-01
      3  -0.106923D+01 -0.577167D+00  0.567573D+00  0.860779D+00  0.231841D+00
                61            62            63            64            65 
      1   0.811227D+00 -0.242638D+01  0.141972D+02 -0.158262D+01 -0.548975D+01
      2  -0.343810D+01  0.295762D+01 -0.930474D+01  0.204179D+01  0.225333D+01
      3  -0.278902D+01  0.301480D+01 -0.223758D+01  0.399207D+01 -0.559855D+00
                66            67            68            69            70 
      1  -0.163709D+01 -0.242557D+01 -0.435268D+01 -0.291774D+01 -0.131202D+01
      2   0.242451D+01  0.190886D+01  0.321771D+01  0.158962D+01  0.190351D+00
      3   0.646203D+00  0.463968D+01 -0.171985D+00 -0.442351D+00  0.166145D+01
                71            72            73            74            75 
      1  -0.185893D+01 -0.662883D+00 -0.106882D+00 -0.101057D+01  0.430840D+01
      2   0.168371D+01  0.244629D+00  0.803016D+00 -0.467135D-01 -0.473556D+00
      3  -0.255783D+00 -0.190066D+00 -0.251121D+00 -0.183309D+01 -0.141129D+01
                76            77            78            79            80 
      1  -0.123725D+01  0.128904D+00  0.216413D+00  0.108229D+01 -0.195498D+00
      2  -0.685421D+00  0.542918D-01 -0.346414D-02 -0.406386D+01  0.478011D+00
      3   0.401387D+00  0.115251D+00 -0.129061D-02 -0.266857D+01  0.244570D+00
                81            82            83            84            85 
      1   0.119104D+02  0.987868D-01  0.104295D+00 -0.435556D+00 -0.145127D+01
      2   0.774938D+00 -0.918061D+00 -0.717826D-01  0.165771D+01  0.140877D+01
      3  -0.230061D+01  0.468189D+00 -0.131281D+01  0.872727D+00  0.562011D+01
                86            87            88            89            90 
      1  -0.113282D+02 -0.390962D+01 -0.436319D+00 -0.308227D+01 -0.148989D+01
      2   0.163993D+00 -0.661184D+00 -0.226343D+00  0.441021D-01 -0.310892D+00
      3   0.279200D+01 -0.507532D-01  0.195584D+01  0.117117D+01  0.162868D+00
                91            92            93            94            95 
      1  -0.485318D+00 -0.170830D+01 -0.713860D+00 -0.332153D+00  0.875160D-01
      2   0.447042D+00  0.326983D+00  0.442582D+01  0.489721D+00 -0.859656D+00
      3   0.227746D+00 -0.273867D+01 -0.629407D+00  0.576872D+00 -0.449899D-01
                96            97            98            99           100 
      1  -0.331915D+00  0.228501D+00  0.285427D+01  0.841689D-01  0.474332D+01
      2   0.137207D+01 -0.607135D-01  0.884926D+00 -0.550680D+01  0.268228D+00
      3   0.137843D+01 -0.925910D+00  0.288586D+01 -0.250333D+00 -0.919116D+01
               101           102           103           104           105 
      1  -0.455574D+01 -0.260113D+01 -0.679529D+01 -0.677110D+01 -0.450417D+01
      2   0.265130D+00  0.140943D+02  0.265772D+00  0.290237D+01  0.226876D+01
      3   0.711675D+01 -0.420638D+01  0.136499D+02  0.103303D+02  0.205948D+01
               106           107           108           109           110 
      1  -0.171065D+01  0.210875D+00  0.336253D+01  0.180542D+00 -0.648571D+00
      2   0.838847D+01  0.227095D+01 -0.687211D+01 -0.883506D+00 -0.100876D+01
      3  -0.391866D+01  0.154184D+00 -0.496906D+00  0.188707D+01  0.160413D+00
               111           112           113           114           115 
      1  -0.952763D+00 -0.337840D+00 -0.113659D+01 -0.366878D+01 -0.985699D-03
      2   0.357647D-01 -0.139836D+01 -0.140213D+01 -0.193726D+01 -0.326333D+01
      3   0.120707D+01  0.210163D+01  0.619594D+00  0.200964D+01  0.304017D+01
               116           117           118           119           120 
      1  -0.428909D+00 -0.994801D+01  0.270296D+01 -0.206063D+01  0.277974D+01
      2  -0.295074D+01 -0.600527D+01  0.309268D+01 -0.233615D+01  0.328489D+01
      3   0.304678D+01  0.250210D+01 -0.569585D+01 -0.130490D+01 -0.115155D+01
               121           122           123           124           125 
      1  -0.229829D+01  0.271375D+01 -0.387593D+01  0.167621D+01 -0.169096D+01
      2  -0.145573D+01  0.216373D+01 -0.237947D+01  0.885336D+00 -0.233541D+01
      3   0.366121D+01 -0.106868D+00  0.114889D+00 -0.306885D+01 -0.100121D+01
               126           127           128           129           130 
      1   0.222866D+01 -0.229419D+01 -0.177649D+01  0.265242D+01 -0.392661D+00
      2   0.179280D+01  0.703869D+01  0.694497D+00 -0.696453D+01  0.119763D+01
      3   0.120143D+00 -0.873729D+00 -0.446059D+00  0.136807D+01  0.489147D+00
               131           132           133           134           135 
      1  -0.476265D+00  0.335460D+00  0.203924D+01  0.337099D+01 -0.473308D+01
      2   0.170894D+01 -0.865407D+00 -0.866222D+01 -0.347703D+00  0.135608D+02
      3  -0.646084D+00 -0.133607D+01  0.126706D+01 -0.128662D+01 -0.130565D+01
               136           137           138           139           140 
      1  -0.402047D+01  0.337954D+01 -0.690632D+00  0.269989D+01 -0.224070D+01
      2  -0.254653D+01  0.101943D+01  0.375317D+01  0.122072D+01 -0.642812D+00
      3   0.899923D+01 -0.885024D+01  0.244428D+01 -0.557474D+01  0.571177D+01
               141           142           143           144           145 
      1   0.329610D-01 -0.116175D+01  0.163818D+01 -0.120859D+01  0.686243D+00
      2  -0.305366D+01 -0.738503D+00 -0.917025D+00  0.186013D+01 -0.283601D+00
      3  -0.160141D+01  0.218552D+01 -0.115995D+01  0.213846D+01 -0.905505D+00
               146           147           148           149           150 
      1   0.233328D+01 -0.437831D+00  0.223721D+01  0.753255D+01 -0.365264D+01
      2  -0.808893D+00  0.750319D+00 -0.971716D+00 -0.486232D+00  0.362047D+01
      3  -0.464524D+01  0.415606D-01 -0.188997D+01 -0.163349D+02 -0.129624D+01
               151           152           153 
      1   0.315084D+00  0.248113D+00  0.628865D+00
      2  -0.959907D+00  0.145934D+01  0.429633D+00
      3  -0.250853D+00  0.308797D+00 -0.179535D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.421219D-01  0.244558D+01  0.433140D+00 -0.363498D+01 -0.576328D+01
      2  -0.497575D+01 -0.163874D+02  0.852608D+00 -0.721882D+01  0.187252D+01
      3   0.501787D+01  0.139418D+02 -0.128575D+01  0.108538D+02  0.389076D+01
      4  -0.624472D+01 -0.152809D+02 -0.357610D+01 -0.662629D+01 -0.155485D+02
      5  -0.251452D-01 -0.223370D+01  0.217913D+00 -0.156408D+01 -0.160441D+01
      6  -0.435804D+01 -0.303049D+00  0.367290D+01 -0.211665D+01 -0.430823D+01
                 6             7             8             9            10 
      1   0.244889D+01  0.506861D+01 -0.423332D+01  0.109066D+02 -0.405552D+02
      2  -0.395443D+01 -0.310978D+01 -0.630360D+01  0.402426D+01  0.205054D+02
      3   0.150555D+01 -0.195883D+01  0.105369D+02 -0.149309D+02  0.200498D+02
      4  -0.150044D+01 -0.795337D+01 -0.282385D+00 -0.331379D+01  0.177249D+02
      5  -0.154687D+01 -0.366907D+00 -0.109518D+01  0.447127D+01  0.949612D+01
      6   0.388364D+01  0.388791D+01 -0.389737D+01  0.157096D+02 -0.430114D+01
                11            12            13            14            15 
      1   0.693395D+01  0.136971D+01  0.150327D+02  0.727376D+00 -0.554039D+01
      2   0.289582D+01 -0.585718D+01 -0.936964D+01 -0.313538D+01  0.188321D+01
      3  -0.982977D+01  0.448747D+01 -0.566308D+01  0.240800D+01  0.365717D+01
      4  -0.102820D+02 -0.261179D+01 -0.282266D+01  0.216847D+01  0.149094D+01
      5  -0.178745D+01 -0.972384D+01 -0.253626D+01  0.227737D+01  0.467940D+01
      6   0.693943D+01  0.288740D+01  0.247167D+01  0.102377D+01 -0.444548D+01
                16            17            18            19            20 
      1   0.100575D+02 -0.468102D+01 -0.723551D+01 -0.241665D+01 -0.331379D+01
      2  -0.490388D+01  0.288053D+01 -0.105333D+01  0.410349D+01  0.179938D+01
      3  -0.515359D+01  0.180049D+01  0.828884D+01 -0.168684D+01  0.151441D+01
      4  -0.174125D+01  0.565107D+01  0.336856D+01  0.151499D-01  0.235491D+01
      5   0.146492D+01  0.146479D+01  0.754038D+01 -0.450152D+01 -0.120181D+01
      6   0.174292D+01  0.418923D+00  0.637532D+00 -0.396808D+01 -0.310369D+01
                21            22            23            24            25 
      1   0.601465D+01  0.451958D+01  0.729359D+01  0.338882D+01  0.348540D+00
      2   0.345654D+01 -0.405977D+01 -0.199886D+02 -0.306069D+01  0.171643D+01
      3  -0.947119D+01 -0.459806D+00  0.126950D+02 -0.328133D+00 -0.206497D+01
      4  -0.605451D+00 -0.106589D+00  0.333277D+01 -0.496001D+00 -0.111118D+01
      5   0.386100D+00 -0.115377D+01 -0.215670D+00  0.396146D+01  0.309432D+01
      6   0.590016D+01  0.672996D+00 -0.394630D+01  0.391542D+01  0.137545D+01
                26            27            28            29            30 
      1   0.156478D+01  0.185932D+02  0.601305D+00 -0.383493D+01  0.622868D+01
      2  -0.859542D+01  0.493107D+01  0.326973D+01  0.124691D+01 -0.499373D+01
      3   0.703064D+01 -0.235242D+02 -0.387104D+01  0.258802D+01 -0.123495D+01
      4  -0.205584D+01  0.331519D+01 -0.415728D+01  0.209893D+01 -0.169476D+01
      5   0.266488D+01 -0.106532D+02  0.124319D+02  0.107924D+01 -0.186138D+02
      6   0.926149D+00  0.113160D+02  0.256876D+01 -0.208124D+01 -0.490849D+01
                31            32            33            34            35 
      1  -0.753002D+01  0.717362D+01 -0.346964D+01  0.611600D+00 -0.395590D+01
      2   0.526333D+01 -0.418922D+01  0.245578D+01 -0.462657D+01  0.943111D+00
      3   0.226669D+01 -0.298440D+01  0.101387D+01  0.401497D+01  0.301279D+01
      4   0.462089D+01  0.759304D+01  0.538822D+00 -0.556651D+01 -0.333456D+01
      5  -0.108468D+01  0.892171D+00 -0.613717D+01 -0.222404D+02 -0.776327D+01
      6   0.572949D+00 -0.122407D+01 -0.187889D+01 -0.530075D+01 -0.335643D+00
                36            37            38            39            40 
      1  -0.165562D+02 -0.303889D+01  0.163570D+01 -0.394981D+00  0.318106D+01
      2   0.137005D+02 -0.425939D+01  0.973278D+01 -0.152098D+01  0.752862D+01
      3   0.285579D+01  0.729827D+01 -0.113685D+02  0.191596D+01 -0.107097D+02
      4  -0.934042D+01  0.425388D+01 -0.132228D+02  0.846687D+01 -0.111164D+02
      5   0.930721D+01 -0.665799D+01  0.359721D+01  0.152350D+01  0.927089D+00
      6   0.121588D+01  0.588472D+01 -0.443163D+01 -0.375680D+01 -0.390459D+01
                41            42            43            44            45 
      1  -0.620117D+01  0.596117D+01 -0.752489D+00  0.986737D+01  0.146584D+02
      2   0.795998D+01  0.215153D+01 -0.229626D+01  0.283545D+01 -0.551313D+01
      3  -0.175881D+01 -0.811269D+01  0.304875D+01 -0.127028D+02 -0.914525D+01
      4   0.661815D+01 -0.326259D+01  0.131641D+02 -0.242263D+01  0.669931D+01
      5  -0.263232D+01  0.163708D+01  0.306575D+01  0.445921D+01  0.243406D+01
      6   0.188276D+01 -0.963192D+01 -0.100405D+01 -0.116001D+02 -0.195692D+02
                46            47            48            49            50 
      1   0.857830D+02 -0.131697D+02 -0.667416D+01 -0.135324D+02  0.100801D+02
      2  -0.448518D+02  0.308787D+01  0.621998D+01  0.418929D+01  0.303257D+00
      3  -0.409312D+02  0.100819D+02  0.454183D+00  0.934316D+01 -0.103834D+02
      4  -0.259455D+02  0.222915D+02  0.420319D+01  0.244132D+02 -0.157531D+02
      5  -0.119985D+02  0.291527D+01  0.207288D+02  0.421252D+01 -0.436152D+01
      6   0.755827D+01 -0.431939D+01 -0.516049D+01 -0.458531D+01  0.402123D+01
                51            52            53            54            55 
      1   0.188432D+01 -0.756588D+01  0.217187D+01  0.111390D+02 -0.217664D+01
      2  -0.112550D+01  0.655024D+01 -0.119666D+00 -0.108926D+02 -0.663664D+00
      3  -0.758817D+00  0.101565D+01 -0.205220D+01 -0.246404D+00  0.284031D+01
      4  -0.535919D+01  0.541484D+01 -0.532793D+01 -0.760473D+01  0.279811D+00
      5  -0.634953D+01  0.233756D+02 -0.696546D+01 -0.125051D+02 -0.311355D+00
      6   0.705293D+01 -0.601183D+01  0.771633D+01  0.366934D+01 -0.243149D+01
                56            57            58            59            60 
      1   0.850183D+00 -0.160160D+01 -0.131488D+00 -0.469307D+01  0.310168D+01
      2   0.587871D+00  0.423018D+00  0.905975D+00  0.384673D+01 -0.361842D+01
      3  -0.143805D+01  0.117858D+01 -0.774487D+00  0.846334D+00  0.516738D+00
      4   0.461420D+01 -0.216408D+01  0.211697D+01  0.252437D+01 -0.854525D+00
      5  -0.110739D+01  0.481495D+01  0.515235D+00 -0.347104D+00 -0.328976D+00
      6  -0.233540D+00 -0.196947D+01 -0.155808D+00 -0.419561D+01  0.652427D+01
                61            62            63            64            65 
      1  -0.340053D+01  0.922059D+01 -0.196187D+02  0.821799D+01 -0.302615D+00
      2   0.159111D+01 -0.318453D+01 -0.848273D+01  0.450542D+01  0.131046D+02
      3   0.180941D+01 -0.603605D+01  0.281014D+02 -0.127234D+02 -0.128020D+02
      4  -0.287268D+01 -0.331430D+01  0.480059D+01  0.207181D+02  0.238221D+02
      5   0.492793D+01  0.213041D+01 -0.794628D+01  0.997026D+00  0.556923D+00
      6  -0.166390D+00  0.122015D+02 -0.241936D+02  0.106427D+01  0.345754D+00
                66            67            68            69            70 
      1   0.386121D+00 -0.286736D+00 -0.898728D+01  0.277915D+00  0.837276D+00
      2   0.144784D+00  0.103557D+02  0.257719D+02  0.158269D+01  0.932971D+00
      3  -0.530906D+00 -0.100690D+02 -0.167846D+02 -0.186061D+01 -0.177025D+01
      4   0.916216D+00  0.169741D+02  0.239465D+02  0.156353D+01  0.504971D+01
      5   0.414086D+01  0.795824D+00  0.234114D+01  0.229745D+01  0.339939D+01
      6   0.309487D+01  0.373744D+00  0.118252D+01  0.528724D+01  0.303173D+01
                71            72            73            74            75 
      1  -0.463732D+00 -0.298210D+01  0.486441D+00  0.237648D+01 -0.399674D+01
      2   0.515895D+01  0.241150D+01 -0.410443D+01 -0.519990D+00 -0.323316D+01
      3  -0.469522D+01  0.570597D+00  0.361799D+01 -0.185649D+01  0.722990D+01
      4   0.489913D+01  0.511525D+01 -0.160564D+01  0.340729D+01 -0.383821D+01
      5   0.398631D+01  0.158468D+01  0.528542D+01 -0.233019D+01  0.952712D+01
      6   0.714577D+01  0.534376D+00 -0.256428D+01  0.313476D+01 -0.529521D+01
                76            77            78            79            80 
      1   0.207002D+00 -0.615172D+01  0.216794D+01 -0.148113D+01  0.695963D+01
      2   0.625629D+00  0.391105D+01 -0.319701D+01 -0.258852D+01 -0.807992D+00
      3  -0.832631D+00  0.224067D+01  0.102908D+01  0.406964D+01 -0.615164D+01
      4   0.124335D+01 -0.383708D+00  0.128943D+01 -0.412228D+01  0.211770D+01
      5   0.254504D+00  0.149139D+01 -0.230028D+00  0.671812D+01 -0.231031D+01
      6   0.134312D+01 -0.345452D+01  0.669397D+01 -0.279617D+01  0.102863D+02
                81            82            83            84            85 
      1  -0.265549D+02  0.195511D+00  0.364539D+00 -0.108866D+01 -0.126820D+01
      2  -0.138470D+02  0.292327D+01 -0.108969D+01  0.594926D+00  0.127948D+01
      3   0.404019D+02 -0.311878D+01  0.725154D+00  0.493733D+00 -0.112744D-01
      4  -0.332264D+01 -0.265013D+00  0.839817D+01  0.481581D+00  0.677643D+01
      5   0.118242D+02 -0.530410D+00 -0.110585D+01  0.196315D+01 -0.451857D+00
      6  -0.205433D+02  0.748647D+00  0.568316D+00 -0.250228D+00  0.434273D+00
                86            87            88            89            90 
      1  -0.245637D+02  0.669391D+00 -0.436473D+00 -0.374387D+01 -0.544928D+01
      2   0.437281D+02  0.188373D+01  0.135177D+00  0.875920D+01  0.333034D+01
      3  -0.191644D+02 -0.255312D+01  0.301296D+00 -0.501534D+01  0.211894D+01
      4  -0.174472D+01 -0.130589D-01  0.240590D+01 -0.143690D+01 -0.233695D+00
      5   0.227340D+00 -0.630700D+00  0.828158D+00 -0.120036D+00  0.768048D+00
      6  -0.385098D+01  0.648959D+01  0.133988D+00  0.606949D+01  0.712860D+00
                91            92            93            94            95 
      1   0.171429D+02  0.235451D+01 -0.810892D+01  0.241531D+01  0.126150D+00
      2  -0.150134D+02 -0.196531D+01  0.984475D+01 -0.150125D+01  0.619527D-01
      3  -0.212950D+01 -0.389198D+00 -0.173583D+01 -0.914058D+00 -0.188103D+00
      4   0.520213D+01  0.515563D+01 -0.211094D+01  0.560958D+01  0.132556D+01
      5  -0.204970D+02 -0.233631D+01  0.205265D+02 -0.206037D+01 -0.534556D+01
      6  -0.283218D+01 -0.246133D+01  0.349125D+01 -0.281115D+01 -0.194005D+01
                96            97            98            99           100 
      1  -0.897637D-01 -0.702679D+01 -0.135524D+00  0.225812D+01 -0.184648D+02
      2   0.117436D+00  0.117331D+02  0.126651D+01 -0.159103D+02  0.117478D+02
      3  -0.276724D-01 -0.470628D+01 -0.113098D+01  0.136522D+02  0.671701D+01
      4  -0.404155D+01 -0.249634D+01 -0.338053D+01  0.317244D+01  0.120774D+02
      5   0.323001D+01  0.214772D+02  0.361150D+01 -0.264251D+02 -0.109160D+02
      6   0.567937D+01  0.300986D+01  0.496310D+01 -0.514125D+01  0.368613D+01
               101           102           103           104           105 
      1   0.162296D+02 -0.163326D+02  0.213208D+02 -0.107998D+02  0.484351D+01
      2  -0.146664D+02 -0.381094D+00 -0.195462D+02 -0.977730D+01 -0.587032D+01
      3  -0.156319D+01  0.167137D+02 -0.177467D+01  0.205771D+02  0.102681D+01
      4  -0.110086D+02  0.313355D+01 -0.167666D+02 -0.267442D+02 -0.165147D+01
      5   0.744572D+01  0.908778D+01  0.932777D+01 -0.408178D+01  0.623339D+01
      6  -0.363429D+01  0.651440D+01 -0.467003D+01 -0.541223D+01  0.282407D+01
               106           107           108           109           110 
      1  -0.125755D+02  0.440086D+01  0.194521D+02 -0.124290D+01 -0.281001D+01
      2   0.380835D-01 -0.406720D+01 -0.524883D+01  0.225540D+00  0.110716D+01
      3   0.125374D+02 -0.333658D+00 -0.142032D+02  0.101736D+01  0.170285D+01
      4   0.485243D+01  0.245305D+01  0.113903D+02 -0.259577D+00  0.474664D+01
      5   0.109835D+02  0.715361D+01  0.408427D+01  0.603380D+00  0.176265D+01
      6   0.724545D+01  0.200157D+01  0.810815D+00  0.332454D+01  0.251366D+01
               111           112           113           114           115 
      1  -0.267637D+01 -0.677286D+00 -0.929032D+01 -0.882847D+01 -0.206943D+01
      2   0.123110D+01 -0.587896D+00  0.834891D+01  0.560464D+01  0.119973D+01
      3   0.144527D+01  0.126518D+01  0.941416D+00  0.322383D+01  0.869701D+00
      4   0.240085D+01  0.441002D+01 -0.332826D+01 -0.201414D+01  0.340094D+01
      5   0.484155D+01  0.121100D+01 -0.170580D+01 -0.190559D+01  0.456027D+01
      6   0.345923D+01  0.560435D+00  0.119970D+02  0.144407D+02 -0.457277D+00
               116           117           118           119           120 
      1  -0.130424D+02 -0.212859D+02  0.104921D+02 -0.124099D+01  0.191319D+01
      2   0.674027D+01 -0.142166D+01  0.306753D+01 -0.102094D+02  0.866565D+00
      3   0.630213D+01  0.227075D+02 -0.135597D+02  0.114504D+02 -0.277976D+01
      4  -0.455758D+01 -0.536012D+01 -0.212250D+02  0.200777D+02 -0.515911D+01
      5  -0.407724D+01 -0.718750D+01  0.366685D+01 -0.200237D+01  0.455144D+01
      6   0.187821D+02  0.294104D+02 -0.339061D+01  0.186173D+01 -0.379648D+01
               121           122           123           124           125 
      1  -0.132391D+01 -0.400430D+01 -0.190645D-01  0.212041D+01  0.777509D+00
      2  -0.864000D+01  0.171387D+02 -0.355991D+01  0.164488D+01 -0.674660D+01
      3   0.996390D+01 -0.131344D+02  0.357897D+01 -0.376529D+01  0.596909D+01
      4   0.166764D+02 -0.192445D+02  0.400593D+01 -0.881078D+01  0.831770D+01
      5  -0.162332D+01  0.224691D+01 -0.264055D+01  0.486861D+01 -0.401140D+01
      6   0.183593D+01 -0.345266D+01  0.621207D+01 -0.385821D+01  0.714684D+01
               126           127           128           129           130 
      1  -0.185148D+01 -0.506713D+01 -0.116309D+01  0.111622D+02 -0.287915D+01
      2   0.234374D+01 -0.703689D+00  0.605238D+00  0.179081D+01  0.222341D+01
      3  -0.492261D+00  0.577082D+01  0.557856D+00 -0.129530D+02  0.655744D+00
      4  -0.606813D+01 -0.385612D+01  0.291460D-01  0.140919D+01  0.233197D+01
      5   0.369023D+01 -0.193930D+01 -0.125132D+01 -0.284552D+01 -0.134276D+01
      6  -0.290861D+01  0.758611D+00 -0.256430D+01 -0.402293D+01 -0.784576D+00
               131           132           133           134           135 
      1  -0.187240D+01 -0.272118D+00  0.113379D+02 -0.921382D+00 -0.201881D+02
      2   0.149616D+01  0.182925D+01 -0.116602D+01  0.145806D+01 -0.867875D+01
      3   0.376242D+00 -0.155714D+01 -0.101718D+02 -0.536679D+00  0.288669D+02
      4   0.224899D+01  0.175309D+01  0.264764D+01  0.270828D+01 -0.287197D+01
      5   0.132918D+01 -0.154804D+01  0.267834D+01  0.344911D-01  0.109691D+02
      6   0.803214D+00  0.370400D+01 -0.167739D+01  0.477039D+01  0.649895D+01
               136           137           138           139           140 
      1   0.497680D+02 -0.131663D+02  0.957746D+01 -0.219018D+02  0.981964D+01
      2  -0.291406D+02  0.874386D+01 -0.790973D+01  0.129712D+02 -0.312011D+01
      3  -0.206274D+02  0.442248D+01 -0.166772D+01  0.893053D+01 -0.669953D+01
      4  -0.825682D+01  0.117596D+02 -0.176755D+01  0.119056D+02 -0.805145D+01
      5   0.196452D+02 -0.519549D+01  0.121111D+02 -0.984622D+01  0.471798D+01
      6  -0.331674D+01  0.429610D+01 -0.110153D+01  0.406765D+01 -0.315993D+01
               141           142           143           144           145 
      1  -0.419605D+01  0.651188D+01 -0.176795D+01  0.363106D+01  0.916948D+01
      2   0.450880D+01 -0.586078D+01  0.241829D+01 -0.551523D+01 -0.106175D+01
      3  -0.312755D+00 -0.651100D+00 -0.650344D+00  0.188417D+01 -0.810774D+01
      4   0.269296D+01 -0.126684D+01  0.858894D+00 -0.324279D+01  0.105149D+02
      5  -0.759762D+01  0.104255D+02 -0.444917D+01  0.608950D+01  0.364396D+01
      6   0.183275D+01 -0.163611D+01  0.215705D+01 -0.475499D+00  0.156861D+01
               146           147           148           149           150 
      1   0.443854D+01  0.164556D+01  0.717570D+01 -0.265621D+01 -0.125853D+01
      2   0.261298D+01 -0.457522D+00  0.420839D+01  0.252967D+02  0.229982D+00
      3  -0.705152D+01 -0.118804D+01 -0.113841D+02 -0.226405D+02  0.102854D+01
      4   0.156824D+02  0.912129D+00  0.219993D+02  0.400113D+02  0.425075D+01
      5   0.159044D+01  0.266834D+01  0.441937D+01  0.477068D+01  0.687628D+01
      6   0.347270D+01  0.124139D+01  0.508786D+01  0.124296D+02  0.732221D+01
               151           152           153 
      1  -0.513809D+00 -0.947906D+00 -0.285349D+01
      2   0.817917D-01 -0.156576D+01  0.188490D+01
      3   0.432018D+00  0.251366D+01  0.968595D+00
      4  -0.994286D+00 -0.893172D+00  0.349670D+01
      5   0.237914D+01  0.425752D+01  0.346709D+00
      6   0.145152D+01  0.589167D+01  0.711259D+00
 Leave Link  716 at Thu Jul  8 22:10:07 2021, MaxMem= 10737418240 cpu:               1.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.816393D+02 -0.102934D+01 -0.160751D+01
      2  -0.102934D+01  0.746440D+02 -0.160442D+01
      3  -0.160751D+01 -0.160442D+01  0.659059D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.298893D+01  0.350436D+00 -0.213749D+01
      2  -0.940730D+01 -0.323517D+01 -0.188106D+02
      3   0.589549D+01  0.146532D+02  0.271758D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.209342D+02 -0.175891D+02 -0.252823D+02
      2   0.112658D+02  0.162556D+02  0.968587D+01
      3   0.966841D+01  0.133344D+01  0.155964D+02
      4  -0.874911D+01 -0.302115D+02 -0.842639D+01
      5  -0.219133D+02 -0.614271D+01 -0.402751D+02
      6  -0.101833D+00  0.222989D+01  0.563232D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.220379D+00 -0.220284D+01 -0.131607D+01 -0.188773D+01 -0.367254D+01
      2  -0.220284D+01 -0.526403D+01  0.591738D+00 -0.367254D+01 -0.259375D-01
      3  -0.131607D+01  0.591738D+00  0.530562D+00  0.771971D-01 -0.976737D+00
                 6             7             8             9            10 
      1   0.771971D-01 -0.138672D+01 -0.109999D+01  0.866380D+00 -0.605603D+01
      2  -0.976737D+00 -0.109999D+01 -0.289817D+00 -0.103391D+01  0.395929D+01
      3  -0.330314D+00  0.866380D+00 -0.103391D+01  0.505427D+01  0.108345D+01
                11            12            13            14            15 
      1   0.395929D+01  0.108345D+01  0.305706D+01  0.646193D+00 -0.792693D+00
      2   0.415748D+01 -0.237727D+01  0.646193D+00 -0.283801D+01  0.552791D+00
      3  -0.237727D+01  0.878625D+00 -0.792693D+00  0.552791D+00  0.375199D+00
                16            17            18            19            20 
      1   0.136986D+01 -0.961207D+00 -0.455499D+00  0.118259D+01 -0.287761D+01
      2  -0.961207D+00 -0.935059D+00  0.865615D+00 -0.287761D+01 -0.127357D+01
      3  -0.455499D+00  0.865615D+00 -0.816942D-01  0.121936D+01  0.106220D+01
                21            22            23            24            25 
      1   0.121936D+01 -0.190755D+01 -0.214564D-01  0.244526D+00 -0.851194D+00
      2   0.106220D+01 -0.214564D-01  0.662238D+01  0.128019D+01  0.399593D+00
      3  -0.258476D+01  0.244526D+00  0.128019D+01 -0.304972D+00 -0.173920D+01
                26            27            28            29            30 
      1   0.399593D+00 -0.173920D+01 -0.133939D+01  0.236836D+01 -0.208428D+01
      2   0.242215D+01  0.249753D+00  0.236836D+01 -0.303846D+01  0.102623D+01
      3   0.249753D+00 -0.543843D+01 -0.208428D+01  0.102623D+01  0.413707D+01
                31            32            33            34            35 
      1   0.190621D+01 -0.220041D+01  0.854513D+00 -0.173720D+01  0.694089D+00
      2  -0.220041D+01 -0.500947D+01 -0.792101D+00  0.694089D+00  0.683594D+00
      3   0.854513D+00 -0.792101D+00  0.181574D+01  0.490547D+01  0.202118D+01
                36            37            38            39            40 
      1   0.490547D+01  0.221331D+00 -0.167542D+01  0.254046D+01 -0.720940D+00
      2   0.202118D+01 -0.167542D+01  0.332212D+01 -0.103825D+01  0.359629D+01
      3  -0.239164D+00  0.254046D+01 -0.103825D+01 -0.136115D+01 -0.135689D+01
                41            42            43            44            45 
      1   0.359629D+01 -0.135689D+01  0.274290D+01 -0.206750D+01 -0.105326D+01
      2   0.243468D+01  0.159594D+00 -0.206750D+01 -0.125348D+00 -0.343827D+01
      3   0.159594D+00 -0.223117D+01 -0.105326D+01 -0.343827D+01 -0.482294D+01
                46            47            48            49            50 
      1   0.152041D+02 -0.362317D+01 -0.207771D+01 -0.309972D+01  0.378587D+01
      2  -0.362317D+01  0.119605D+01  0.101042D+01  0.378587D+01 -0.224209D+01
      3  -0.207771D+01  0.101042D+01  0.146018D+01  0.717089D+00 -0.112772D+01
                51            52            53            54            55 
      1   0.717089D+00 -0.212725D+01  0.693998D+00  0.384906D+01 -0.633978D+00
      2  -0.112772D+01  0.693998D+00 -0.350907D+00 -0.152650D+01  0.526883D+00
      3  -0.752122D+00  0.384906D+01 -0.152650D+01 -0.194815D+01 -0.898015D+00
                56            57            58            59            60 
      1   0.526883D+00 -0.898015D+00  0.141525D+00  0.230832D+00  0.140052D+00
      2   0.505921D+00 -0.489214D-01  0.230832D+00  0.838072D+00 -0.929194D+00
      3  -0.489214D-01 -0.414684D+00  0.140052D+00 -0.929194D+00  0.560634D+00
                61            62            63            64            65 
      1  -0.159721D+01  0.276315D+00 -0.649939D-01  0.420308D+01  0.324978D+01
      2   0.276315D+00 -0.219691D+01  0.218357D+01  0.324978D+01  0.443655D+01
      3  -0.649939D-01  0.218357D+01 -0.797898D+01  0.269487D+00 -0.309912D-01
                66            67            68            69            70 
      1   0.269487D+00  0.275536D+01  0.296381D+01  0.899608D-01  0.113904D+01
      2  -0.309912D-01  0.296381D+01  0.592682D+01  0.501431D+00  0.903024D+00
      3   0.652558D+00  0.899608D-01  0.501431D+00  0.929522D+00  0.480399D+00
                71            72            73            74            75 
      1   0.903024D+00  0.480399D+00  0.785728D+00  0.497376D-01  0.133582D+01
      2   0.135225D+01  0.120802D+01  0.497376D-01  0.633256D+00 -0.757363D+00
      3   0.120802D+01 -0.252485D-02  0.133582D+01 -0.757363D+00  0.202860D+01
                76            77            78            79            80 
      1   0.462972D+00  0.959084D-01 -0.111687D+00  0.231465D+01 -0.301203D+00
      2   0.959084D-01 -0.969340D+00  0.107097D+01 -0.301203D+00  0.148722D+01
      3  -0.111687D+00  0.107097D+01 -0.289556D+00  0.143705D+01 -0.180230D+01
                81            82            83            84            85 
      1   0.143705D+01 -0.139025D+00 -0.967107D+00 -0.416931D+00 -0.163014D+01
      2  -0.180230D+01 -0.967107D+00  0.407265D+00 -0.244842D+00 -0.263722D-01
      3   0.926645D+01 -0.416931D+00 -0.244842D+00  0.247855D+00 -0.826915D-01
                86            87            88            89            90 
      1  -0.263722D-01 -0.826915D-01 -0.563781D+00  0.138688D+00  0.635127D-01
      2  -0.933073D+01 -0.324780D+00  0.138688D+00 -0.257005D+01 -0.118921D+01
      3  -0.324780D+00 -0.127183D+01  0.635127D-01 -0.118921D+01  0.200823D+00
                91            92            93            94            95 
      1  -0.483116D+01 -0.985422D+00  0.283786D+01 -0.713661D+00 -0.760995D+00
      2  -0.985422D+00 -0.715974D+00  0.193497D+00 -0.760995D+00 -0.675894D-01
      3   0.283786D+01  0.193497D+00 -0.343312D+01  0.148746D+00  0.101369D+01
                96            97            98            99           100 
      1   0.148746D+00  0.327969D+01  0.407941D+00 -0.354145D+01  0.330839D+01
      2   0.101369D+01  0.407941D+00  0.993637D+00 -0.819235D+00 -0.266423D+01
      3  -0.778944D+00 -0.354145D+01 -0.819235D+00  0.527305D+01  0.176988D+01
               101           102           103           104           105 
      1  -0.266423D+01  0.176988D+01 -0.329166D+01  0.398531D+01 -0.126758D+01
      2   0.284489D+01 -0.109537D+01  0.398531D+01  0.583417D+01  0.578831D+00
      3  -0.109537D+01 -0.365908D+01 -0.126758D+01  0.578831D+00 -0.153970D+01
               106           107           108           109           110 
      1   0.118751D+01 -0.125180D+01 -0.412009D+01  0.490569D+00  0.750024D+00
      2  -0.125180D+01 -0.764404D+00 -0.158368D+01  0.750024D+00  0.673610D-01
      3  -0.412009D+01 -0.158368D+01  0.978068D+00  0.720770D+00  0.389181D+00
               111           112           113           114           115 
      1   0.720770D+00  0.675342D+00 -0.296778D+00  0.553341D-01  0.118744D+01
      2   0.389181D+00 -0.296778D+00  0.216228D+01  0.209268D+01  0.400852D+00
      3   0.768955D+00  0.553341D-01  0.209268D+01  0.231074D+01  0.622253D-01
               116           117           118           119           120 
      1   0.400852D+00  0.622253D-01 -0.459571D+01  0.300450D+01 -0.118075D+01
      2   0.307371D+01  0.359959D+01  0.300450D+01 -0.367708D+01  0.665260D+00
      3   0.359959D+01  0.739604D+01 -0.118075D+01  0.665260D+00 -0.933693D+00
               121           122           123           124           125 
      1   0.242281D+01 -0.278893D+01  0.578333D+00 -0.191020D+01  0.124782D+01
      2  -0.278893D+01  0.417244D+01 -0.784533D+00  0.124782D+01 -0.188977D+01
      3   0.578333D+00 -0.784533D+00  0.119631D+01 -0.100809D+01  0.156829D+01
               126           127           128           129           130 
      1  -0.100809D+01  0.190009D+01  0.514064D+00 -0.132667D+01  0.588701D+00
      2   0.156829D+01  0.514064D+00  0.529776D+00  0.275375D+00 -0.270800D-01
      3  -0.616576D+00 -0.132667D+01  0.275375D+00  0.300777D+01  0.803886D-01
               131           132           133           134           135 
      1  -0.270800D-01  0.803886D-01 -0.195570D+01 -0.793345D-01  0.135135D+01
      2  -0.472970D+00 -0.781208D+00 -0.793345D-01 -0.103973D+01 -0.116822D+00
      3  -0.781208D+00  0.425478D+00  0.135135D+01 -0.116822D+00 -0.589687D+01
               136           137           138           139           140 
      1  -0.785619D+01  0.206175D+01 -0.207250D+01  0.379661D+01 -0.216946D+01
      2   0.206175D+01 -0.204938D+01  0.462356D+00 -0.216946D+01  0.137250D+01
      3  -0.207250D+01  0.462356D+00 -0.130410D+01  0.120027D+01 -0.551062D+00
               141           142           143           144           145 
      1   0.120027D+01 -0.122601D+01  0.492459D+00 -0.986148D+00 -0.206474D+01
      2  -0.551062D+00  0.492459D+00 -0.137918D+00  0.570942D+00 -0.148859D+01
      3   0.128958D+01 -0.986148D+00  0.570942D+00 -0.962974D+00 -0.404163D+00
               146           147           148           149           150 
      1  -0.148859D+01 -0.404163D+00 -0.255518D+01 -0.334020D+01 -0.574865D+00
      2  -0.208217D+01 -0.832553D-01 -0.334020D+01 -0.840720D+01 -0.982831D+00
      3  -0.832553D-01 -0.215834D-01 -0.574865D+00 -0.982831D+00 -0.140460D+01
               151           152           153 
      1   0.134178D+00  0.106258D+00 -0.467095D-01
      2   0.106258D+00  0.287361D+00 -0.757058D+00
      3  -0.467095D-01 -0.757058D+00 -0.180413D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.528351D+01  0.429872D+01 -0.193055D+01  0.192680D+01  0.257194D+01
      2  -0.101569D+01 -0.127743D+01  0.122624D+01 -0.167432D+01 -0.327566D+01
      3   0.500760D+01  0.732845D+00 -0.474100D+01  0.642134D+01 -0.485412D+01
                 6             7             8             9            10 
      1  -0.439011D+01 -0.482828D+01  0.495570D+01 -0.710719D+01 -0.280063D+01
      2  -0.102281D+01 -0.310867D+01 -0.261168D+01  0.776875D+01 -0.406662D+01
      3  -0.113710D+00 -0.388288D+01 -0.307872D+01  0.427053D+01  0.129829D+01
                11            12            13            14            15 
      1   0.823779D+01 -0.316818D+01  0.548619D+01  0.605052D+01  0.101859D+01
      2  -0.783482D+01 -0.457853D+01 -0.434463D+01 -0.698089D-01  0.185761D+01
      3  -0.450822D+01  0.445499D+01  0.947222D+00 -0.103431D+01 -0.211133D+01
                16            17            18            19            20 
      1   0.234531D+01  0.183783D+02 -0.740220D+01 -0.613513D+00 -0.384219D+00
      2  -0.120427D+02 -0.194194D+01  0.673734D+01 -0.407346D+01  0.465034D+01
      3   0.288058D+01 -0.534184D+01  0.343897D-01 -0.610407D+00  0.387957D+01
                21            22            23            24            25 
      1  -0.497709D+01  0.130650D+01  0.869961D+01 -0.273711D+01 -0.684785D+00
      2   0.107380D+01  0.384559D+01 -0.654101D+00  0.262613D+01 -0.491605D+01
      3  -0.240715D+01  0.834953D+01 -0.575897D+01  0.983517D+00 -0.156448D+01
                26            27            28            29            30 
      1   0.489788D+01 -0.768504D+01  0.143396D+01 -0.195725D+01  0.101697D+01
      2   0.113494D+01 -0.201832D+01  0.825553D+01 -0.198855D+01 -0.173549D+01
      3   0.722029D+00  0.168649D+01  0.504179D+01 -0.893654D+01  0.168583D+01
                31            32            33            34            35 
      1  -0.295196D+01 -0.339383D+01 -0.293464D+01 -0.987411D-01  0.477784D+01
      2  -0.361218D+01  0.127520D+01 -0.239502D+01 -0.904313D+01 -0.410839D+01
      3  -0.275242D+01 -0.696967D+01  0.553833D-01  0.102432D+01  0.201896D+00
                36            37            38            39            40 
      1   0.617449D+00 -0.438074D+01  0.544229D+01  0.208604D+01  0.556881D+01
      2  -0.486655D+00 -0.630430D+01  0.343548D+01  0.173796D+01  0.250038D+01
      3   0.132535D+01 -0.539060D+01 -0.117093D+01  0.331066D+01  0.493254D+01
                41            42            43            44            45 
      1   0.290520D+01  0.204983D+01  0.170494D+01  0.919569D+01  0.476360D+01
      2  -0.239399D+01  0.258537D+01 -0.410035D+01  0.473837D+01  0.420850D+01
      3   0.889374D+01 -0.167308D+01  0.364775D+01 -0.369131D+01 -0.401152D+01
                46            47            48            49            50 
      1   0.106760D+01 -0.508845D+01  0.388057D+01 -0.159921D+01 -0.238086D+00
      2  -0.830550D+00  0.166494D+01  0.122227D+02  0.140701D+01 -0.120391D+01
      3  -0.167035D+01 -0.118399D+02 -0.105528D+00 -0.131527D+01  0.608432D+01
                51            52            53            54            55 
      1  -0.290774D+01 -0.483746D+00 -0.351874D+01  0.164211D+01  0.874292D-01
      2  -0.365089D+01  0.433399D+01  0.749861D-01 -0.606872D+01 -0.182804D+01
      3   0.989059D+00  0.140655D+01  0.406537D+01  0.347675D+00 -0.181878D+01
                56            57            58            59            60 
      1   0.884055D+00  0.820558D+00  0.139948D+01  0.494708D-01 -0.779959D+00
      2   0.260989D+00  0.220639D-01 -0.102100D+00 -0.497932D+00  0.491329D-01
      3  -0.106923D+01 -0.577167D+00  0.567573D+00  0.860779D+00  0.231841D+00
                61            62            63            64            65 
      1   0.811227D+00 -0.242638D+01  0.141972D+02 -0.158262D+01 -0.548975D+01
      2  -0.343810D+01  0.295762D+01 -0.930474D+01  0.204179D+01  0.225333D+01
      3  -0.278902D+01  0.301480D+01 -0.223758D+01  0.399207D+01 -0.559855D+00
                66            67            68            69            70 
      1  -0.163709D+01 -0.242557D+01 -0.435268D+01 -0.291774D+01 -0.131202D+01
      2   0.242451D+01  0.190886D+01  0.321771D+01  0.158962D+01  0.190351D+00
      3   0.646203D+00  0.463968D+01 -0.171985D+00 -0.442351D+00  0.166145D+01
                71            72            73            74            75 
      1  -0.185893D+01 -0.662883D+00 -0.106882D+00 -0.101057D+01  0.430840D+01
      2   0.168371D+01  0.244629D+00  0.803016D+00 -0.467135D-01 -0.473556D+00
      3  -0.255783D+00 -0.190066D+00 -0.251121D+00 -0.183309D+01 -0.141129D+01
                76            77            78            79            80 
      1  -0.123725D+01  0.128904D+00  0.216413D+00  0.108229D+01 -0.195498D+00
      2  -0.685421D+00  0.542918D-01 -0.346414D-02 -0.406386D+01  0.478011D+00
      3   0.401387D+00  0.115251D+00 -0.129061D-02 -0.266857D+01  0.244570D+00
                81            82            83            84            85 
      1   0.119104D+02  0.987868D-01  0.104295D+00 -0.435556D+00 -0.145127D+01
      2   0.774938D+00 -0.918061D+00 -0.717826D-01  0.165771D+01  0.140877D+01
      3  -0.230061D+01  0.468189D+00 -0.131281D+01  0.872727D+00  0.562011D+01
                86            87            88            89            90 
      1  -0.113282D+02 -0.390962D+01 -0.436319D+00 -0.308227D+01 -0.148989D+01
      2   0.163993D+00 -0.661184D+00 -0.226343D+00  0.441021D-01 -0.310892D+00
      3   0.279200D+01 -0.507532D-01  0.195584D+01  0.117117D+01  0.162868D+00
                91            92            93            94            95 
      1  -0.485318D+00 -0.170830D+01 -0.713860D+00 -0.332153D+00  0.875160D-01
      2   0.447042D+00  0.326983D+00  0.442582D+01  0.489721D+00 -0.859656D+00
      3   0.227746D+00 -0.273867D+01 -0.629407D+00  0.576872D+00 -0.449899D-01
                96            97            98            99           100 
      1  -0.331915D+00  0.228501D+00  0.285427D+01  0.841689D-01  0.474332D+01
      2   0.137207D+01 -0.607135D-01  0.884926D+00 -0.550680D+01  0.268228D+00
      3   0.137843D+01 -0.925910D+00  0.288586D+01 -0.250333D+00 -0.919116D+01
               101           102           103           104           105 
      1  -0.455574D+01 -0.260113D+01 -0.679529D+01 -0.677110D+01 -0.450417D+01
      2   0.265130D+00  0.140943D+02  0.265772D+00  0.290237D+01  0.226876D+01
      3   0.711675D+01 -0.420638D+01  0.136499D+02  0.103303D+02  0.205948D+01
               106           107           108           109           110 
      1  -0.171065D+01  0.210875D+00  0.336253D+01  0.180542D+00 -0.648571D+00
      2   0.838847D+01  0.227095D+01 -0.687211D+01 -0.883506D+00 -0.100876D+01
      3  -0.391866D+01  0.154184D+00 -0.496906D+00  0.188707D+01  0.160413D+00
               111           112           113           114           115 
      1  -0.952763D+00 -0.337840D+00 -0.113659D+01 -0.366878D+01 -0.985699D-03
      2   0.357647D-01 -0.139836D+01 -0.140213D+01 -0.193726D+01 -0.326333D+01
      3   0.120707D+01  0.210163D+01  0.619594D+00  0.200964D+01  0.304017D+01
               116           117           118           119           120 
      1  -0.428909D+00 -0.994801D+01  0.270296D+01 -0.206063D+01  0.277974D+01
      2  -0.295074D+01 -0.600527D+01  0.309268D+01 -0.233615D+01  0.328489D+01
      3   0.304678D+01  0.250210D+01 -0.569585D+01 -0.130490D+01 -0.115155D+01
               121           122           123           124           125 
      1  -0.229829D+01  0.271375D+01 -0.387593D+01  0.167621D+01 -0.169096D+01
      2  -0.145573D+01  0.216373D+01 -0.237947D+01  0.885336D+00 -0.233541D+01
      3   0.366121D+01 -0.106868D+00  0.114889D+00 -0.306885D+01 -0.100121D+01
               126           127           128           129           130 
      1   0.222866D+01 -0.229419D+01 -0.177649D+01  0.265242D+01 -0.392661D+00
      2   0.179280D+01  0.703869D+01  0.694497D+00 -0.696453D+01  0.119763D+01
      3   0.120143D+00 -0.873729D+00 -0.446059D+00  0.136807D+01  0.489147D+00
               131           132           133           134           135 
      1  -0.476265D+00  0.335460D+00  0.203924D+01  0.337099D+01 -0.473308D+01
      2   0.170894D+01 -0.865407D+00 -0.866222D+01 -0.347703D+00  0.135608D+02
      3  -0.646084D+00 -0.133607D+01  0.126706D+01 -0.128662D+01 -0.130565D+01
               136           137           138           139           140 
      1  -0.402047D+01  0.337954D+01 -0.690632D+00  0.269989D+01 -0.224070D+01
      2  -0.254653D+01  0.101943D+01  0.375317D+01  0.122072D+01 -0.642812D+00
      3   0.899923D+01 -0.885024D+01  0.244428D+01 -0.557474D+01  0.571177D+01
               141           142           143           144           145 
      1   0.329610D-01 -0.116175D+01  0.163818D+01 -0.120859D+01  0.686243D+00
      2  -0.305366D+01 -0.738503D+00 -0.917025D+00  0.186013D+01 -0.283601D+00
      3  -0.160141D+01  0.218552D+01 -0.115995D+01  0.213846D+01 -0.905505D+00
               146           147           148           149           150 
      1   0.233328D+01 -0.437831D+00  0.223721D+01  0.753255D+01 -0.365264D+01
      2  -0.808893D+00  0.750319D+00 -0.971716D+00 -0.486232D+00  0.362047D+01
      3  -0.464524D+01  0.415606D-01 -0.188997D+01 -0.163349D+02 -0.129624D+01
               151           152           153 
      1   0.315084D+00  0.248113D+00  0.628865D+00
      2  -0.959907D+00  0.145934D+01  0.429633D+00
      3  -0.250853D+00  0.308797D+00 -0.179535D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.421219D-01  0.244558D+01  0.433140D+00 -0.363498D+01 -0.576328D+01
      2  -0.497575D+01 -0.163874D+02  0.852608D+00 -0.721882D+01  0.187252D+01
      3   0.501787D+01  0.139418D+02 -0.128575D+01  0.108538D+02  0.389076D+01
      4  -0.624472D+01 -0.152809D+02 -0.357610D+01 -0.662629D+01 -0.155485D+02
      5  -0.251452D-01 -0.223370D+01  0.217913D+00 -0.156408D+01 -0.160441D+01
      6  -0.435804D+01 -0.303049D+00  0.367290D+01 -0.211665D+01 -0.430823D+01
                 6             7             8             9            10 
      1   0.244889D+01  0.506861D+01 -0.423332D+01  0.109066D+02 -0.405552D+02
      2  -0.395443D+01 -0.310978D+01 -0.630360D+01  0.402426D+01  0.205054D+02
      3   0.150555D+01 -0.195883D+01  0.105369D+02 -0.149309D+02  0.200498D+02
      4  -0.150044D+01 -0.795337D+01 -0.282385D+00 -0.331379D+01  0.177249D+02
      5  -0.154687D+01 -0.366907D+00 -0.109518D+01  0.447127D+01  0.949612D+01
      6   0.388364D+01  0.388791D+01 -0.389737D+01  0.157096D+02 -0.430114D+01
                11            12            13            14            15 
      1   0.693395D+01  0.136971D+01  0.150327D+02  0.727376D+00 -0.554039D+01
      2   0.289582D+01 -0.585718D+01 -0.936964D+01 -0.313538D+01  0.188321D+01
      3  -0.982977D+01  0.448747D+01 -0.566308D+01  0.240800D+01  0.365717D+01
      4  -0.102820D+02 -0.261179D+01 -0.282266D+01  0.216847D+01  0.149094D+01
      5  -0.178745D+01 -0.972384D+01 -0.253626D+01  0.227737D+01  0.467940D+01
      6   0.693943D+01  0.288740D+01  0.247167D+01  0.102377D+01 -0.444548D+01
                16            17            18            19            20 
      1   0.100575D+02 -0.468102D+01 -0.723551D+01 -0.241665D+01 -0.331379D+01
      2  -0.490388D+01  0.288053D+01 -0.105333D+01  0.410349D+01  0.179938D+01
      3  -0.515359D+01  0.180049D+01  0.828884D+01 -0.168684D+01  0.151441D+01
      4  -0.174125D+01  0.565107D+01  0.336856D+01  0.151499D-01  0.235491D+01
      5   0.146492D+01  0.146479D+01  0.754038D+01 -0.450152D+01 -0.120181D+01
      6   0.174292D+01  0.418923D+00  0.637532D+00 -0.396808D+01 -0.310369D+01
                21            22            23            24            25 
      1   0.601465D+01  0.451958D+01  0.729359D+01  0.338882D+01  0.348540D+00
      2   0.345654D+01 -0.405977D+01 -0.199886D+02 -0.306069D+01  0.171643D+01
      3  -0.947119D+01 -0.459806D+00  0.126950D+02 -0.328133D+00 -0.206497D+01
      4  -0.605451D+00 -0.106589D+00  0.333277D+01 -0.496001D+00 -0.111118D+01
      5   0.386100D+00 -0.115377D+01 -0.215670D+00  0.396146D+01  0.309432D+01
      6   0.590016D+01  0.672996D+00 -0.394630D+01  0.391542D+01  0.137545D+01
                26            27            28            29            30 
      1   0.156478D+01  0.185932D+02  0.601305D+00 -0.383493D+01  0.622868D+01
      2  -0.859542D+01  0.493107D+01  0.326973D+01  0.124691D+01 -0.499373D+01
      3   0.703064D+01 -0.235242D+02 -0.387104D+01  0.258802D+01 -0.123495D+01
      4  -0.205584D+01  0.331519D+01 -0.415728D+01  0.209893D+01 -0.169476D+01
      5   0.266488D+01 -0.106532D+02  0.124319D+02  0.107924D+01 -0.186138D+02
      6   0.926149D+00  0.113160D+02  0.256876D+01 -0.208124D+01 -0.490849D+01
                31            32            33            34            35 
      1  -0.753002D+01  0.717362D+01 -0.346964D+01  0.611600D+00 -0.395590D+01
      2   0.526333D+01 -0.418922D+01  0.245578D+01 -0.462657D+01  0.943111D+00
      3   0.226669D+01 -0.298440D+01  0.101387D+01  0.401497D+01  0.301279D+01
      4   0.462089D+01  0.759304D+01  0.538822D+00 -0.556651D+01 -0.333456D+01
      5  -0.108468D+01  0.892171D+00 -0.613717D+01 -0.222404D+02 -0.776327D+01
      6   0.572949D+00 -0.122407D+01 -0.187889D+01 -0.530075D+01 -0.335643D+00
                36            37            38            39            40 
      1  -0.165562D+02 -0.303889D+01  0.163570D+01 -0.394981D+00  0.318106D+01
      2   0.137005D+02 -0.425939D+01  0.973278D+01 -0.152098D+01  0.752862D+01
      3   0.285579D+01  0.729827D+01 -0.113685D+02  0.191596D+01 -0.107097D+02
      4  -0.934042D+01  0.425388D+01 -0.132228D+02  0.846687D+01 -0.111164D+02
      5   0.930721D+01 -0.665799D+01  0.359721D+01  0.152350D+01  0.927089D+00
      6   0.121588D+01  0.588472D+01 -0.443163D+01 -0.375680D+01 -0.390459D+01
                41            42            43            44            45 
      1  -0.620117D+01  0.596117D+01 -0.752489D+00  0.986737D+01  0.146584D+02
      2   0.795998D+01  0.215153D+01 -0.229626D+01  0.283545D+01 -0.551313D+01
      3  -0.175881D+01 -0.811269D+01  0.304875D+01 -0.127028D+02 -0.914525D+01
      4   0.661815D+01 -0.326259D+01  0.131641D+02 -0.242263D+01  0.669931D+01
      5  -0.263232D+01  0.163708D+01  0.306575D+01  0.445921D+01  0.243406D+01
      6   0.188276D+01 -0.963192D+01 -0.100405D+01 -0.116001D+02 -0.195692D+02
                46            47            48            49            50 
      1   0.857830D+02 -0.131697D+02 -0.667416D+01 -0.135324D+02  0.100801D+02
      2  -0.448518D+02  0.308787D+01  0.621998D+01  0.418929D+01  0.303257D+00
      3  -0.409312D+02  0.100819D+02  0.454183D+00  0.934316D+01 -0.103834D+02
      4  -0.259455D+02  0.222915D+02  0.420319D+01  0.244132D+02 -0.157531D+02
      5  -0.119985D+02  0.291527D+01  0.207288D+02  0.421252D+01 -0.436152D+01
      6   0.755827D+01 -0.431939D+01 -0.516049D+01 -0.458531D+01  0.402123D+01
                51            52            53            54            55 
      1   0.188432D+01 -0.756588D+01  0.217187D+01  0.111390D+02 -0.217664D+01
      2  -0.112550D+01  0.655024D+01 -0.119666D+00 -0.108926D+02 -0.663664D+00
      3  -0.758817D+00  0.101565D+01 -0.205220D+01 -0.246404D+00  0.284031D+01
      4  -0.535919D+01  0.541484D+01 -0.532793D+01 -0.760473D+01  0.279811D+00
      5  -0.634953D+01  0.233756D+02 -0.696546D+01 -0.125051D+02 -0.311355D+00
      6   0.705293D+01 -0.601183D+01  0.771633D+01  0.366934D+01 -0.243149D+01
                56            57            58            59            60 
      1   0.850183D+00 -0.160160D+01 -0.131488D+00 -0.469307D+01  0.310168D+01
      2   0.587871D+00  0.423018D+00  0.905975D+00  0.384673D+01 -0.361842D+01
      3  -0.143805D+01  0.117858D+01 -0.774487D+00  0.846334D+00  0.516738D+00
      4   0.461420D+01 -0.216408D+01  0.211697D+01  0.252437D+01 -0.854525D+00
      5  -0.110739D+01  0.481495D+01  0.515235D+00 -0.347104D+00 -0.328976D+00
      6  -0.233540D+00 -0.196947D+01 -0.155808D+00 -0.419561D+01  0.652427D+01
                61            62            63            64            65 
      1  -0.340053D+01  0.922059D+01 -0.196187D+02  0.821799D+01 -0.302615D+00
      2   0.159111D+01 -0.318453D+01 -0.848273D+01  0.450542D+01  0.131046D+02
      3   0.180941D+01 -0.603605D+01  0.281014D+02 -0.127234D+02 -0.128020D+02
      4  -0.287268D+01 -0.331430D+01  0.480059D+01  0.207181D+02  0.238221D+02
      5   0.492793D+01  0.213041D+01 -0.794628D+01  0.997026D+00  0.556923D+00
      6  -0.166390D+00  0.122015D+02 -0.241936D+02  0.106427D+01  0.345754D+00
                66            67            68            69            70 
      1   0.386121D+00 -0.286736D+00 -0.898728D+01  0.277915D+00  0.837276D+00
      2   0.144784D+00  0.103557D+02  0.257719D+02  0.158269D+01  0.932971D+00
      3  -0.530906D+00 -0.100690D+02 -0.167846D+02 -0.186061D+01 -0.177025D+01
      4   0.916216D+00  0.169741D+02  0.239465D+02  0.156353D+01  0.504971D+01
      5   0.414086D+01  0.795824D+00  0.234114D+01  0.229745D+01  0.339939D+01
      6   0.309487D+01  0.373744D+00  0.118252D+01  0.528724D+01  0.303173D+01
                71            72            73            74            75 
      1  -0.463732D+00 -0.298210D+01  0.486441D+00  0.237648D+01 -0.399674D+01
      2   0.515895D+01  0.241150D+01 -0.410443D+01 -0.519990D+00 -0.323316D+01
      3  -0.469522D+01  0.570597D+00  0.361799D+01 -0.185649D+01  0.722990D+01
      4   0.489913D+01  0.511525D+01 -0.160564D+01  0.340729D+01 -0.383821D+01
      5   0.398631D+01  0.158468D+01  0.528542D+01 -0.233019D+01  0.952712D+01
      6   0.714577D+01  0.534376D+00 -0.256428D+01  0.313476D+01 -0.529521D+01
                76            77            78            79            80 
      1   0.207002D+00 -0.615172D+01  0.216794D+01 -0.148113D+01  0.695963D+01
      2   0.625629D+00  0.391105D+01 -0.319701D+01 -0.258852D+01 -0.807992D+00
      3  -0.832631D+00  0.224067D+01  0.102908D+01  0.406964D+01 -0.615164D+01
      4   0.124335D+01 -0.383708D+00  0.128943D+01 -0.412228D+01  0.211770D+01
      5   0.254504D+00  0.149139D+01 -0.230028D+00  0.671812D+01 -0.231031D+01
      6   0.134312D+01 -0.345452D+01  0.669397D+01 -0.279617D+01  0.102863D+02
                81            82            83            84            85 
      1  -0.265549D+02  0.195511D+00  0.364539D+00 -0.108866D+01 -0.126820D+01
      2  -0.138470D+02  0.292327D+01 -0.108969D+01  0.594926D+00  0.127948D+01
      3   0.404019D+02 -0.311878D+01  0.725154D+00  0.493733D+00 -0.112744D-01
      4  -0.332264D+01 -0.265013D+00  0.839817D+01  0.481581D+00  0.677643D+01
      5   0.118242D+02 -0.530410D+00 -0.110585D+01  0.196315D+01 -0.451857D+00
      6  -0.205433D+02  0.748647D+00  0.568316D+00 -0.250228D+00  0.434273D+00
                86            87            88            89            90 
      1  -0.245637D+02  0.669391D+00 -0.436473D+00 -0.374387D+01 -0.544928D+01
      2   0.437281D+02  0.188373D+01  0.135177D+00  0.875920D+01  0.333034D+01
      3  -0.191644D+02 -0.255312D+01  0.301296D+00 -0.501534D+01  0.211894D+01
      4  -0.174472D+01 -0.130589D-01  0.240590D+01 -0.143690D+01 -0.233695D+00
      5   0.227340D+00 -0.630700D+00  0.828158D+00 -0.120036D+00  0.768048D+00
      6  -0.385098D+01  0.648959D+01  0.133988D+00  0.606949D+01  0.712860D+00
                91            92            93            94            95 
      1   0.171429D+02  0.235451D+01 -0.810892D+01  0.241531D+01  0.126150D+00
      2  -0.150134D+02 -0.196531D+01  0.984475D+01 -0.150125D+01  0.619527D-01
      3  -0.212950D+01 -0.389198D+00 -0.173583D+01 -0.914058D+00 -0.188103D+00
      4   0.520213D+01  0.515563D+01 -0.211094D+01  0.560958D+01  0.132556D+01
      5  -0.204970D+02 -0.233631D+01  0.205265D+02 -0.206037D+01 -0.534556D+01
      6  -0.283218D+01 -0.246133D+01  0.349125D+01 -0.281115D+01 -0.194005D+01
                96            97            98            99           100 
      1  -0.897637D-01 -0.702679D+01 -0.135524D+00  0.225812D+01 -0.184648D+02
      2   0.117436D+00  0.117331D+02  0.126651D+01 -0.159103D+02  0.117478D+02
      3  -0.276724D-01 -0.470628D+01 -0.113098D+01  0.136522D+02  0.671701D+01
      4  -0.404155D+01 -0.249634D+01 -0.338053D+01  0.317244D+01  0.120774D+02
      5   0.323001D+01  0.214772D+02  0.361150D+01 -0.264251D+02 -0.109160D+02
      6   0.567937D+01  0.300986D+01  0.496310D+01 -0.514125D+01  0.368613D+01
               101           102           103           104           105 
      1   0.162296D+02 -0.163326D+02  0.213208D+02 -0.107998D+02  0.484351D+01
      2  -0.146664D+02 -0.381094D+00 -0.195462D+02 -0.977730D+01 -0.587032D+01
      3  -0.156319D+01  0.167137D+02 -0.177467D+01  0.205771D+02  0.102681D+01
      4  -0.110086D+02  0.313355D+01 -0.167666D+02 -0.267442D+02 -0.165147D+01
      5   0.744572D+01  0.908778D+01  0.932777D+01 -0.408178D+01  0.623339D+01
      6  -0.363429D+01  0.651440D+01 -0.467003D+01 -0.541223D+01  0.282407D+01
               106           107           108           109           110 
      1  -0.125755D+02  0.440086D+01  0.194521D+02 -0.124290D+01 -0.281001D+01
      2   0.380835D-01 -0.406720D+01 -0.524883D+01  0.225540D+00  0.110716D+01
      3   0.125374D+02 -0.333658D+00 -0.142032D+02  0.101736D+01  0.170285D+01
      4   0.485243D+01  0.245305D+01  0.113903D+02 -0.259577D+00  0.474664D+01
      5   0.109835D+02  0.715361D+01  0.408427D+01  0.603380D+00  0.176265D+01
      6   0.724545D+01  0.200157D+01  0.810815D+00  0.332454D+01  0.251366D+01
               111           112           113           114           115 
      1  -0.267637D+01 -0.677286D+00 -0.929032D+01 -0.882847D+01 -0.206943D+01
      2   0.123110D+01 -0.587896D+00  0.834891D+01  0.560464D+01  0.119973D+01
      3   0.144527D+01  0.126518D+01  0.941416D+00  0.322383D+01  0.869701D+00
      4   0.240085D+01  0.441002D+01 -0.332826D+01 -0.201414D+01  0.340094D+01
      5   0.484155D+01  0.121100D+01 -0.170580D+01 -0.190559D+01  0.456027D+01
      6   0.345923D+01  0.560435D+00  0.119970D+02  0.144407D+02 -0.457277D+00
               116           117           118           119           120 
      1  -0.130424D+02 -0.212859D+02  0.104921D+02 -0.124099D+01  0.191319D+01
      2   0.674027D+01 -0.142166D+01  0.306753D+01 -0.102094D+02  0.866565D+00
      3   0.630213D+01  0.227075D+02 -0.135597D+02  0.114504D+02 -0.277976D+01
      4  -0.455758D+01 -0.536012D+01 -0.212250D+02  0.200777D+02 -0.515911D+01
      5  -0.407724D+01 -0.718750D+01  0.366685D+01 -0.200237D+01  0.455144D+01
      6   0.187821D+02  0.294104D+02 -0.339061D+01  0.186173D+01 -0.379648D+01
               121           122           123           124           125 
      1  -0.132391D+01 -0.400430D+01 -0.190645D-01  0.212041D+01  0.777509D+00
      2  -0.864000D+01  0.171387D+02 -0.355991D+01  0.164488D+01 -0.674660D+01
      3   0.996390D+01 -0.131344D+02  0.357897D+01 -0.376529D+01  0.596909D+01
      4   0.166764D+02 -0.192445D+02  0.400593D+01 -0.881078D+01  0.831770D+01
      5  -0.162332D+01  0.224691D+01 -0.264055D+01  0.486861D+01 -0.401140D+01
      6   0.183593D+01 -0.345266D+01  0.621207D+01 -0.385821D+01  0.714684D+01
               126           127           128           129           130 
      1  -0.185148D+01 -0.506713D+01 -0.116309D+01  0.111622D+02 -0.287915D+01
      2   0.234374D+01 -0.703689D+00  0.605238D+00  0.179081D+01  0.222341D+01
      3  -0.492261D+00  0.577082D+01  0.557856D+00 -0.129530D+02  0.655744D+00
      4  -0.606813D+01 -0.385612D+01  0.291460D-01  0.140919D+01  0.233197D+01
      5   0.369023D+01 -0.193930D+01 -0.125132D+01 -0.284552D+01 -0.134276D+01
      6  -0.290861D+01  0.758611D+00 -0.256430D+01 -0.402293D+01 -0.784576D+00
               131           132           133           134           135 
      1  -0.187240D+01 -0.272118D+00  0.113379D+02 -0.921382D+00 -0.201881D+02
      2   0.149616D+01  0.182925D+01 -0.116602D+01  0.145806D+01 -0.867875D+01
      3   0.376242D+00 -0.155714D+01 -0.101718D+02 -0.536679D+00  0.288669D+02
      4   0.224899D+01  0.175309D+01  0.264764D+01  0.270828D+01 -0.287197D+01
      5   0.132918D+01 -0.154804D+01  0.267834D+01  0.344911D-01  0.109691D+02
      6   0.803214D+00  0.370400D+01 -0.167739D+01  0.477039D+01  0.649895D+01
               136           137           138           139           140 
      1   0.497680D+02 -0.131663D+02  0.957746D+01 -0.219018D+02  0.981964D+01
      2  -0.291406D+02  0.874386D+01 -0.790973D+01  0.129712D+02 -0.312011D+01
      3  -0.206274D+02  0.442248D+01 -0.166772D+01  0.893053D+01 -0.669953D+01
      4  -0.825682D+01  0.117596D+02 -0.176755D+01  0.119056D+02 -0.805145D+01
      5   0.196452D+02 -0.519549D+01  0.121111D+02 -0.984622D+01  0.471798D+01
      6  -0.331674D+01  0.429610D+01 -0.110153D+01  0.406765D+01 -0.315993D+01
               141           142           143           144           145 
      1  -0.419605D+01  0.651188D+01 -0.176795D+01  0.363106D+01  0.916948D+01
      2   0.450880D+01 -0.586078D+01  0.241829D+01 -0.551523D+01 -0.106175D+01
      3  -0.312755D+00 -0.651100D+00 -0.650344D+00  0.188417D+01 -0.810774D+01
      4   0.269296D+01 -0.126684D+01  0.858894D+00 -0.324279D+01  0.105149D+02
      5  -0.759762D+01  0.104255D+02 -0.444917D+01  0.608950D+01  0.364396D+01
      6   0.183275D+01 -0.163611D+01  0.215705D+01 -0.475499D+00  0.156861D+01
               146           147           148           149           150 
      1   0.443854D+01  0.164556D+01  0.717570D+01 -0.265621D+01 -0.125853D+01
      2   0.261298D+01 -0.457522D+00  0.420839D+01  0.252967D+02  0.229982D+00
      3  -0.705152D+01 -0.118804D+01 -0.113841D+02 -0.226405D+02  0.102854D+01
      4   0.156824D+02  0.912129D+00  0.219993D+02  0.400113D+02  0.425075D+01
      5   0.159044D+01  0.266834D+01  0.441937D+01  0.477068D+01  0.687628D+01
      6   0.347270D+01  0.124139D+01  0.508786D+01  0.124296D+02  0.732221D+01
               151           152           153 
      1  -0.513809D+00 -0.947906D+00 -0.285349D+01
      2   0.817917D-01 -0.156576D+01  0.188490D+01
      3   0.432018D+00  0.251366D+01  0.968595D+00
      4  -0.994286D+00 -0.893172D+00  0.349670D+01
      5   0.237914D+01  0.425752D+01  0.346709D+00
      6   0.145152D+01  0.589167D+01  0.711259D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.126112D+01      0.320545D+01      0.106922D+02
   x         -0.116024D+01     -0.294904D+01     -0.983692D+01
   y          0.383638D+00      0.975111D+00      0.325262D+01
   z          0.311602D+00      0.792012D+00      0.264187D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.697834D+02      0.103408D+02      0.115057D+02
   aniso      0.128365D+02      0.190217D+01      0.211645D+01
   xx         0.765775D+02      0.113476D+02      0.126259D+02
   yx        -0.664074D+00     -0.984056D-01     -0.109491D+00
   yy         0.704327D+02      0.104370D+02      0.116128D+02
   zx        -0.124348D+01     -0.184264D+00     -0.205021D+00
   zy        -0.139431D+01     -0.206616D+00     -0.229891D+00
   zz         0.623399D+02      0.923782D+01      0.102785D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.740631D+02      0.109750D+02      0.122114D+02
   aniso      0.143201D+02      0.212203D+01      0.236107D+01
   xx         0.816393D+02      0.120977D+02      0.134605D+02
   yx        -0.102934D+01     -0.152533D+00     -0.169716D+00
   yy         0.746440D+02      0.110611D+02      0.123071D+02
   zx        -0.160751D+01     -0.238208D+00     -0.265042D+00
   zy        -0.160442D+01     -0.237751D+00     -0.264533D+00
   zz         0.659059D+02      0.976625D+01      0.108664D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.31375307          2.60011328         -0.55786525
     6          0.60291535          0.24505832         -2.19928680
     6          0.89397356         -2.03950270         -0.46714025
     6          0.05208436         -1.12652576          2.15491560
     6          0.82036366          1.69637880          2.14618885
     8          0.60033342          0.20261504         -4.47391883
     1         -1.62013454          3.28736603         -0.79843978
     1          1.56308325          4.09663253         -1.22138169
     1          2.90278114         -2.53951272         -0.47007963
     1         -0.14079087         -3.66115645         -1.20271020
     1          1.05302224         -2.13589284          3.64883537
     6         -2.78794957         -1.47654919          2.54787070
     1          2.83324433          1.86408015          2.57383780
     1         -0.20129685          2.78170848          3.56836369
     1         -3.88189063         -0.51277984          1.08460476
     1         -3.38049557         -0.72163501          4.37396586
     1         -3.30102047         -3.47356550          2.48626813

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.126112D+01      0.320545D+01      0.106922D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.126112D+01      0.320545D+01      0.106922D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.697834D+02      0.103408D+02      0.115057D+02
   aniso      0.128365D+02      0.190217D+01      0.211645D+01
   xx         0.628105D+02      0.930756D+01      0.103561D+02
   yx         0.124941D+01      0.185143D+00      0.205999D+00
   yy         0.706724D+02      0.104726D+02      0.116523D+02
   zx        -0.309753D+01     -0.459006D+00     -0.510713D+00
   zy        -0.747027D+00     -0.110698D+00     -0.123168D+00
   zz         0.758671D+02      0.112423D+02      0.125088D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.740631D+02      0.109750D+02      0.122114D+02
   aniso      0.143201D+02      0.212203D+01      0.236107D+01
   xx         0.662088D+02      0.981114D+01      0.109164D+02
   yx         0.116008D+01      0.171906D+00      0.191271D+00
   yy         0.748831D+02      0.110965D+02      0.123466D+02
   zx        -0.324710D+01     -0.481171D+00     -0.535375D+00
   zy        -0.738620D+00     -0.109452D+00     -0.121782D+00
   zz         0.810972D+02      0.120174D+02      0.133711D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-16\Freq\RwB97XD\Gen\C6H10O1\PIERPA\08-Jul-2021\0\\#P 
 wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,0.633721,1.2
 21277,-0.338752\C,1.202323,-0.162379,-0.03348\C,0.137211,-0.968205,0.7
 02463\C,-1.17404,-0.198817,0.488459\C,-0.703929,1.273985,0.406927\O,2.
 304239,-0.549644,-0.325314\H,0.503664,1.289578,-1.422345\H,1.346883,1.
 995992,-0.058182\H,0.420796,-0.975077,1.760549\H,0.126808,-2.003965,0.
 363566\H,-1.851041,-0.333959,1.333578\C,-1.889774,-0.644315,-0.786475\
 H,-0.549986,1.66403,1.415809\H,-1.441119,1.913307,-0.079228\H,-1.24892
 4,-0.537622,-1.665524\H,-2.789893,-0.050884,-0.957715\H,-2.184175,-1.6
 9352,-0.722841\\Version=ES64L-G16RevA.03\State=1-A\HF=-310.0341284\RMS
 D=7.102e-09\RMSF=1.022e-05\ZeroPoint=0.1490467\Thermal=0.1559487\Dipol
 e=-1.1602399,0.3836382,0.3116017\DipoleDeriv=-0.0023389,0.0813391,0.02
 78676,0.1879317,-0.326734,0.121261,-0.0400744,0.1668149,0.0639734,1.22
 86766,-0.2108783,-0.3071958,-0.212944,0.8664031,-0.1988789,-0.3479288,
 -0.196836,0.3246232,-0.1607565,-0.0834607,0.1318103,-0.1752744,-0.0937
 455,0.166945,0.2016756,0.1369327,-0.0432912,0.166906,0.0329153,-0.0141
 818,-0.0018448,0.0744707,0.0170334,0.0271573,0.0162805,0.1569729,0.094
 1287,-0.0408211,0.0288822,-0.0373659,0.0396957,-0.0002335,-0.0160606,0
 .0122669,0.117559,-1.1629539,0.2330766,0.186325,0.246744,-0.5683766,-0
 .0072409,0.2289942,-0.0125786,-0.4050926,0.0381038,0.0373583,-0.018632
 5,0.025648,0.0586699,-0.0299818,0.0156666,-0.0024527,-0.0797279,-0.048
 1241,-0.0712998,-0.0015651,-0.0592407,-0.0100337,-0.0072265,-0.0129676
 ,-0.0541308,0.0670733,-0.0106937,-0.0054609,-0.0445318,-0.0115813,0.07
 5849,-0.0265925,-0.0630611,0.013151,-0.0707767,0.0217831,-0.0002914,0.
 0121668,0.0135265,-0.0886198,-0.0212368,-0.002131,-0.0691989,0.0634382
 ,-0.0818874,-0.0308567,0.0779557,-0.0301002,0.0196767,0.0114052,0.0907
 701,0.0145804,-0.1035002,0.0677346,-0.0188574,-0.0481355,-0.0161163,0.
 0735646,-0.0343801,-0.0319572,-0.0237178,0.0166332,0.0115698,-0.039623
 ,-0.0333863,-0.0278261,0.0020052,-0.0578777,0.0005238,-0.0967044,-0.13
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 A great many people think they are thinking when they
 are merely rearranging their prejudices.
                               -- William James
 Job cpu time:       0 days  3 hours 24 minutes 18.8 seconds.
 Elapsed time:       0 days  0 hours 12 minutes 48.0 seconds.
 File lengths (MBytes):  RWF=    222 Int=      0 D2E=      0 Chk=      7 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul  8 22:10:07 2021.
